Chemistry PG 2015 Admn On05sept2015

File Ref.No.
34494/GA - IV - J2/2013/CU
UNIVERSITY OF CALICUT
Abstract
MSc programme in Chemistry under Credit Semester System (PG)- Scheme and Syllabus -approved
implemented-with effect from 2015 admission- Orders issued
G & A - IV - J
U.O.No. 10385/2015/Admn Dated, Calicut University.P.O, 03.10.2015
Read:-1. U.O.No. GAIV/J1/1373/08 dated, 23.07.2010.

2. GA IV/J2/4684/10 dated 30 .07.2010
3. Item No.3 in the minutes of the meeting of the Board of Studies in Chemistry PG held
on 26.05.2015
4. Approval of Dean, Faculty of Science dated 12.09.2015.
5. Orders of Vice Chancellor dated 22.09.2015
ORDER
As per University Order read as first, Credit Semester System was implemented to PG programmes
in affiliated Arts and Science Colleges and Self Financing Centres of the University with effect from
2010 admission onwards.
Vide paper read as (2) the scheme and Syllabus of MSc programme in Chemistry with effect
from 2010 admission has been implemented.
The Board of Studies in Chemistry PG, vide paper read as (3) approved the revised
programme pattern, syllabus, distribution of credits and hours, scheme of evaluation, model
question papers etc of MSc Chemistry programme w.e.f 2015 admission.
The Dean Faculty of Science has also approved the same vide paper read as (4).
Vide paper read as (5), The Vice-Chancellor has approved Item No.3 in the minutes of the meeting
of the Board of Studies in Chemistry PG held on 26.05.2015 subject to ratification by the Academic
Council.
Sanction has therefore been accorded for implementing the scheme and Syllabus of MSc
programme in Chemistry with effect from 2015 admission.
Orders are issued accordingly.
Detailed Scheme and Syllabus is appended.
(Scheme and Syllabus is uploaded in Website)
Usha K
Deputy Registrar
To
The Principals of affiliated Colleges offering MSc programme in Chemistry
Copy to:
PS to VC, PA to Registrar, Chairman, B/S Chemistry, Pareeksha Bhavan
Forwarded / By Order
Section Officer
M.Sc. CHEMISTRY (CSS PATTERN)
Regulations and Syllabus with effect from 2015 admission
The Board of Studies in Chemistry (PG) at its meeting held on 30-12-2014 considered
the revision of M.Sc. Chemistry syllabus under Credit Semester System (CSS) and resolved to
implement the revised syllabus from 2015 admission onwards. The revised programme pattern;
syllabus, distribution of credits and scheme of evaluation, etc. approved by the Board of studies
in Chemistry (PG) at its meeting held on 26-05-2015 are given below:
Pattern of the Programme

a) The name of the programme shall be M.Sc. Chemistry under CSS pattern.
b) The programme shall be offered in four semesters within a period of two academic years.
c) Eligibility for admission will be as per the rules laid down by the University from time to
time.
d) Details of the programme offered for the programme are given in Table 1. The programme
shall be conducted in accordance with the programme pattern, scheme of examination and
syllabus prescribed. Of the 25 hours per week, 12 hours shall be allotted for theory, 12 hours
for practical and 1 hour for seminar.
Theory Courses
In the first three semesters there will be four theory courses and in the fourth
semester three theory courses. All the theory courses in the first and second semesters are core
courses. In the third semester there will be three core theory courses and one elective theory
course. Colleges can choose any one of the elective courses given in the table 1. In the fourth
semester there will be two core theory courses and one elective theory course. Colleges can
select any one of the elective courses from those given in the table 1. However a student may be
permitted to choose any other elective course in the third and fourth semesters, without having
any lecture classes. Only one elective course chosen by the college both in the third and fourth
semesters will be considered for calculating the workload of teachers. All the theory courses in
the first, second and third semesters are of 3 credits while the theory courses in the fourth
semester are of 4 credits
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Practical Courses
In each semester, there will be three core practical courses. However the practical
examinations will be conducted only at the end of second and fourth semesters. At the end of
second semester, three practical examinations with the codes CH1PO1 & CH2PO4, CH1PO2 &
CH2PO5 and CH1PO3 & CH2PO6 will be conducted. Practical examinations for the codes
CH3PO7 & CH4P10, CH3PO8 & CH4P11 and CH3PO9 & CH4P12 will be conducted at the
end of fourth semester. Each practical examination will be of six hour duration and 4 credits.
Three hours per week in the fourth semester are allotted for conducting individual project work
by the students under guidance of a faculty and it can be treated as practical hours while working
out the workload of teachers.
Project and Viva Voce

Each student has to perform an independent research project work during the
programme under the guidance of a faculty member of the college/ scientists or faculties of
recognised research institutions. Projects done in the quality control or quality analysis division
of the industries will not be considered. At the same time, projects done in the R & D division of
reputed industry can be considered. Each student has to submit three copies of the project
dissertation for valuation at the end of fourth semester. After the valuation one copy may be
returned to the student, one may be given to the project supervisor and the third one should be
kept in the department/college library. Evaluation of the project work (4 credits) will be done on
a separate day at the end of fourth semester, after the theory examinations. Viva voce on the
project will also be done on the same day.
Viva voce examinations, based on the theory and practical courses, will be conducted at the
end of second and fourth semesters (2credits each), on a separate day.
Grading and Evaluation

(1) Accumulated minimum credit required for successful completion of the course
shall be 80.
(2) A project work of 4 credits is compulsory and it should be done during the
programme. However specific hours(3hours/week) are given in the IV semester, for project
work. Project evaluation should be conducted by three external examiners, one each from
inorganic chemistry, organic chemistry and physical chemistry area, at the end of IV semester,
on a separate day.
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Also comprehensive Viva Voce may be conducted by three external examiners, one each from
inorganic chemistry, organic chemistry and physical chemistry area, at the end of II and IV
Semesters on a separate day and carries 2 credits each.
(3) Evaluation and Grading should be done by direct grading system. All grading
during the evaluation of courses and the semester is done on 5 point scale (A, B, C, D, E).
Grading in 5 point scale is as given below.
Overall Grade in a course/Semester
GPA/SGPA Overall Letter Grade
3.50 to 4.00 A
2.50 to 3.49 B
1.50 to 2.49 C
0.50 to 1.49 D
0.00 to 0.49 E
Pass in a course: C grade and above(GPA 1.50 and above). Pass in all courses in a
semester is compulsory to calculate the SGPA.
GPA, SGPA and CGPA between 0 to 4 and in two decimal points. An overall letter
grade (Cumulative Grade) for the whole programme shall be awarded to the student
based on the value of CGPA using a 7-point scale given below.
Overall Grade in a Programme
CGPA Overall Letter Grade
3.80 to 4.00 A+
3.50 to 3.79 A
3.00 to 3.49 B+
2.50 to 2.99 B
2.00 to 2.49 C+
1.50 to 1.99 C
1.00 to 1.49 D
(4) Weightage of Internal and External valuation:
The evaluation scheme for each course shall contain two parts (a)) internal evaluation
(b) external evaluation. Its weightages are as follows:
Evaluation Weightage
Internal 1 (or 25%)
External 3 (or 75%)
Both internal and external evaluation will be carried out using Direct Grading System,
in 5 point scale
(5) Internal evaluation (must be transparent and fair):
Theory: 5 weightage
a) Internal Examinations- weightage = 2 (2 internal exams, both should
be considered)
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b) Assignments and Exercises- weightage =1

c) Seminars and Viva Voce- weightage =1
d) Attendance - weightage =1
Practical: 5 weightage
a) Attendance - weightage =1
b) Lab. skill/quality of their results- weightage =1
c) Model practical test-weightage= 1 (Best one, out of two model exams
is considered)
d) Record weightage = 1
e) Viva Voce- weightage =1
Project: 5 weightage
a) Literature survey and data collection -weightage=2
b) Interpretation of data & Preparation of Project report - weightage =1
c) Research attitude - weightage = 1
d) Viva Voce- weightage =1
Project internal evaluation of each student should be done by the
supervising faculty in the department.
Viva Voce: No internal evaluation for viva voce examinations (at the end of 2 nd
and 4 th semesters).
Attendance: Above 90%: A, 85 89.99% : B, 80 84.99%: C, 75 -79.99%: D
Less than 75%: E
(6) External evaluation:
a) Theory: In all semesters the theory courses have 36 weightage each. Pattern
of question Papers for theory courses is as follows
Division Type No.of Questions Weightage Total Weightage
Section A Short Answer 12 (No Choice) 1 12
Section B Short Essay 8 out of 12 2 16
Section C Essay 2 out of 4 4 08
Total weightage in a question paper 36
b) Practicals: At the end of II and IV semesters. There will be three practical
examinations at the end of second semester as well as at the end of fourth semester.
Each examination has 15 weightage and 4 credits
c) Viva Voce: At the end of II and IV semesters on a separate day(2credits
each). Viva voce will be based on both the theory and practical courses during the year.
c) Project Evaluation: End of IV semester on a separate day. Evaluation is
based on:
a) Sigificance and relevance of the project-weightage=3
b) Project report - weightage =6
c) Presentation- weightage = 3
c) Viva Voce- weightage =3
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Total weightage 15 and credit for project is 4.

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(7) Directions for question paper setters:

Section A: Set each questions to be answered in 5 minutes duration.
Section B: 10 minutes answerable questions each. May be asked as a single question or
parts.
Section C: 20 minutes answerable questions each. May be asked as a single question or
parts.
While setting the question paper, all units in each theory courses must be given due
consideration and should give equal distribution as possible.
(Furthur details regarding the grading and evaluation are as per the University PG
regulations 2010)
Dr. Joby Thomas K

Chairman,
Board of Studies (Chemistry PG)
University of Calicut
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TABLE 1
Courses offered for M.Sc. Chemistry Programme under CSS
Patten in Affiliated Colleges (2015 onwards)
Semester
Course Course Title Instruction/ Credits
Code Week
Basic concepts in quantum chemistry and
CH1CO1 group Theory 3 3
CH1CO2 Elementary inorganic chemistry 3 3
Structure and reactivity of organic

I CH1CO3 compounds 3 3
CHICO4 Thermodynamics, kinetics and catalysis 3 3
CH1PO1 Inorganic chemistry practical I 4 -
CH1PO2 Organic chemistry Practical I 4 -
CH1PO3 Physical chemistry practical I 4 -
Total credits: Core 12

Applications of quantum mechanics and
CH2CO5 group theory 3 3
CH2CO6 Coordination chemistry 3 3
CH2CO7 Organic reaction mechanisms 3 3
Electrochemistry, solid state chemistry and
CH2CO8 Statistical Thermodynamics 3 3
II
2
CH2PO4 Inorganic chemistry practical II 4 4

CH2PO5 Organic chemistry practical II 4 4
CH2PO6 Physical chemistry practical II 4 4
CH2VO1 Viva voce 2

Total credits: Core 24
Viva 2
CH3CO9 Molecular spectroscopy 3 3
CH3C10 Organometallic &Bioinorganic chemistry 3 3
CH3C11 Organic transformations and reagents 3 3
CH3PO7 Inorganic chemistry practical III 4
III CH3PO8 Organic chemistry practical III 4
CH3PO9 Physical chemistry practical III 4
CH3EO1 Synthetic organic chemistry(Elective) 3 3
CH3EO2 Computational chemistry(Elective) 3 3
CH3EO3 Green and Nanochemistry(Elective) 3 3
Total Credits: Core 9
6
Elective 3
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CH4C12 Advanced Topics in Chemistry 4 4
CH4C13 Instrumental Methods of Analysis 4 4
CH4P10 Inorganic Chemistry Practical IV 3 4
CH4P11 Organic Chemistry Practical IV 3 4
CH4P12 Physical Chemistry Practical IV 3 4
CH4EO4 Petrochemicals and Cosmetics(Elective) 4 4
CH4EO5 Industrial Catalysis(Elective) 4 4
CH4EO6 Natural Products & Polymers(Elective) 4 4
CH4EO7 Material Science(Elective) 4 4
CH4PrO1 Research Project 3 4
CH4VO2 Viva Voce 2
Total Credits:
Core 20
Elective 4
IV Project 4
Viva 2
TOTAL CREDITS OF THE PROGRAMME
CORE 65
ELECTIVE 7
PROJECT 4
VIVA VOCE 4
TOTAL CREDITS 80
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M.Sc. CHEMISTRY (CSS PATTERN) - SEMESTER I
CH1CO1 - QUANTUM CHEMISTRY AND GROUP THEORY (3Credits, 54 hrs)
Unit 1: Introduction to Quantum Mechanics (9hrs)

Black body radiation and Plancks quantum postulate. Einsteins photoelectric equation,
de Broglies matter waves, Uncertainty principle, Schrodingers wave mechanics,
Deduction of Schrodinger wave equation from classical wave equation- Detailed
discussion of postulates of quantum mechanics State function or wave function
postulate, Born interpretation of the wave function, well behaved functions,
orthonormality of wave functions; Operator postulate, operator algebra, linear and
nonlinear operators, Laplacian operator, Hermitian operators and their properties, eigen
functions and eigen values of an operator; Eigen value postulate, eigen value equation,
eigen functions of commuting operators; Expectation value postulate; Postulate of time-
dependent Schrdinger equation of motion, conservative systems and time-independent
Schrdinger equation. Quantization of angular momentum, quantum mechanical
operators corresponding to angular momenta ((Lx, L y, Lz), commutation relations
between these operators, Ladder operator method for angular momentum, space
quantization.
Unit 2: Quantum Mechanics of Translational & Vibrational Motions (9hrs)

Free particle in one-dimension; Particle in a one-dimensional box with infinite potential
walls, important features of the problem; Particle in a one-dimensional box with one
finite potential wall, Particle in a rectangular well, (no derivation), Significance of the
problem, Introduction to tunneling; Particle in a three dimensional box, Separation of
variables, degeneracy, Symmetry breaking.
One-dimensional harmonic oscillator (complete treatment):- Method of power series,
Hermite equation and Hermite polynomials, recursion relation, wave functions and
energies, important features of the problem, harmonic oscillator model and molecular
vibrations.
Unit: 3 Quantum Mechanics of Rotational Motion (9hrs)

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Co-ordinate systems: - Cartesian, cylindrical polar and spherical polar coordinates and
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their relationships. Planar rigid rotor (or particle on a ring), the Phi-equation, solution of
the Phi-equation, One particle Rigid rotator (non planar rigid rotator or particle on a
sphere) (complete treatment): Angular momentum in spherical polar co-ordinate, The
wave equation in spherical polar coordinates, wave functions in the real form;
separation of variables, the Phi-equation and the Theta-equation and their solutions,
Legendre and associated Legendre equations, Legendre and associated Legendre
polynomials, Rodrigue's formula, spherical harmonics (imaginary and real
forms),Converting imaginary functions to real form, polar diagrams of spherical
harmonics. Spherical harmonics as eigen functions of angular momentum operators Lz
and L2.
Unit 4: Quantum Mechanics of Hydrogen-like Atoms (9hrs)

Potential energy of hydrogen-like systems, the wave equation in spherical polar
coordinates, separation of variables, the R, Theta and Phi equations and their solutions,
Laguerre and associated Laguerre polynomials, wave functions and energies of
hydrogen-like atoms, orbitals, radial functions and radial distribution functions and their
plots, angular functions (spherical harmonics) and their plots. The postulate of spin by
Uhlenbeck and Goudsmith, Dirac's relativistic equation for hydrogen atom and
discovery of spin (qualitative treatment), spin orbitals, construction of spin orbitals from
orbitals and spin functions.
Unit 5: Foundations of Group Theory & Molecular Symmetry (9hrs)

Basic principles of group theory - the defining properties of mathematical groups, finite
and infinite groups, Abelian and cyclic groups, group multiplication tables (GMT),
similarity transformation, sub groups & classes in a group.
Molecular Symmetry & point groups - symmetry elements and symmetry operations in
molecules, relations between symmetry operations, complete set of symmetry
operations of a molecule, point groups and their systematic identification, GMT and
classes of point groups;
Mathematical preliminaries - matrix algebra, addition and multiplication of matrices,
inverse of a matrix, square matrix, character of a square matrix, diagonal matrix, direct
product and direct sum of square matrices, block factored matrices, solving linear
equations by the method of matrices;
Matrix representation of symmetry operations.
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UNIT 6: Representations of Point Groups & Corresponding Theorems (9hrs)
Representations of point groups - basis for a representation, representations using
vectors, atomic orbitals and Cartesian coordinates positioned on the atoms of molecule
(H2O as example) as bases, reducible representations and irreducible representations
(IR) of point groups, construction of IR by reduction (qualitative demonstration only),
Great Orthogonality Theorem (GOT) (no derivation) and its consequences, derivation of
characters of IR using GOT, construction of character tables of point groups (C2V, C3V,
C2h and C4V and C3 as examples), nomenclature of IR - Mulliken symbols, symmetry
species;
Reduction formula - derivation of reduction formula using GOT, reduction of reducible
representations, (e.g., cart ) using the reduction formula;
Relation between group theory and quantum mechanics wavefunctions (orbitals) as
bases for IR of point groups.
Reference for Units 1 to 4

1. F.L. Pilar, Elementary Quantum Chemistry , McGraw-Hill, 1968.
2. I.N. Levine, Quantum Chemistry, 6 th Edition, Pearson Education Inc.,
3. I.N. Levine, Student Solutions Manual for Quantum Chemistry 6 th Edition, Pearson
Education Inc., 2009.
4. P.W. Atkins and R.S. Friedman, Molecular Quantum Mechanics , 4th Edition, Oxford
University Press, 2005.
5. M.W. Hanna, Quantum Mechanics in Chemistry, 2 nd Edition, W.A. Benjamin Inc., 1969.
6. Donald, A. McQuarrie, Quantum Chemistry, University Science Books, 1983 (first
Indian edition,Viva books, 2003).
7. Thomas Engel, Quantum Chemistry & Spectroscopy, Pearson Education, 2006.
8. J.P. Lowe, Quantum Chemistry, 2nd Edition, Academic Press Inc., 1993.
9. Horia Metiu, Physical Chemistry Quantum Mechanics, Taylor & Francis, 2006.
10. A.K. Chandra, Introduction to Quantum Chemistry , 4 th Edition, Tata McGraw-Hill,
1994.
11. L. Pauling and E.B. Wilson, Introduction to Quantum Mechanics, McGraw-Hill, 1935
(A good source book for many derivations).
12. R.L. Flurry, Jr., Quantum Chemistry, Prentice Hall, 1983.
13. R.K. Prasad, Quantum Chemistry, 3 rd Edition, New Age International, 2006.
14. M.S. Pathania, Quantum Chemistry and Spectroscopy (Problems & Solutions), Vishal
10
Publications, 1984.
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15. C.N. Datta, Lectures on Chemical Bonding and Quantum Chemistry, Prism Books Pvt.
Ltd., 1998.
16. Jack Simons, An Introduction to Theoretical Chemistry, Cambridge University Press,
2003.
For Units 5&6
1. F.A. Cotton, Chemical applications of Group Theory, 3 rd Edition, John Wiley &Sons
Inc., 2003.
2. H. H. Jaffe and M. Orchin, Symmetry in Chemistry, John Wiley &Sons Inc., 1965.
3. L.H. Hall, Group Theory and Symmetry in Chemistry, McGraw Hill, 1969.
4. R. McWeeny, Symmetry: An Introduction to Group Theory and its Applications,
Pergamon Press, London, 1963.
5. P.H. Walton, Beginning Group Theory for Chemistry, Oxford University Press Inc., New
York, 1998.
6. Mark Ladd, Symmetry & Group Theory in Chemistry, Horwood 1998.
7. A. Salahuddin Kunju & G. Krishnan, Group Theory & its Applications in Chemistry, PHI
Learning Pvt. Ltd. 2010.
8. Arthur M Lesk, Introduction to Symmetry & Group theory for Chemists, Kluwer
Academic Publishers,2004.
9. K.Veera Reddy, Symmetry & Spectroscopy of Molecules 2 nd Edn., New Age International
2009.
10.A.W. Joshi, Elements of Group Theory for Physicists, New Age International Publishers,
1997.
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CH1CO2 - ELEMENTARY INORGANIC CHEMISTRY (3 Credits, 54hrs)
Unit 1: Molecular Structure and Bonding (9hrs)

The Lewis structure Octet rule- Resonance Formal charge hypervalence-
electroneutrality principle-Isoelectronic molecules. VSEPR theory, Walsh diagrams, d
p bonds. Bent rule and energetics of hybridization. The hydrogen bond and its
consequences-van der Waal`s forces-Determination of molecular structure by X-Ray
diffraction.
Unit 2: Concepts of Acids and Bases (9hrs)

Major acid-base concepts, Arrhenius, Bronsted-Lowry, Solvent system, Lux-Flood,
Lewis and Usanovich concepts. Classification of acids and bases as hard and soft.
HSAB principle.-Theoretical basis of hardness and softness. The Drago-Wayland
equation, E and C parameters- Symbiosis. Applications of HSAB concept.
Chemistry of nonaqueous solvents- NH3, SO2, H2SO4, BrF3, HF, N2O4 and HSO3 F.
Nonaqueous solvents and acid-base strength. Super acids surface acidity.
Unit 3: Chemistry of Main Group Elements-I (9hrs)

Chemical periodicity-First and Second raw anomalies-The diagonal relationship-
Periodic anomalies of the nonmetals and post-transition metals.
Allotropes of C, S, P. As, Sb, Bi, O and Se. Electron deficient compounds-Boron
hydrides-preparation, reactions, structure and bonding. Styx numbers-closo, nido,
arachno polyhedral structures. Boron cluster compounds-Wades rule. Polyhedral
borane anion-carboranes, metallaboranes and metallacarboranes. Borazines and borides.
.
Unit 4: Chemistry of Main Group Elements-II(9hrs)
Silicates and alumino silicates-Structure, molecular sieves-Zeolite. Silicones-Synthesis,
structure and uses. Carbides and silicides. Synthesis, structure, bonding and uses of
Phosphorous-Nitrogen, Phosphorous -Sulphur and Sulphur-Nitrogen compounds.
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Unit 5: Chemistry of Transition and Inner Transition Elements (9hrs)
Heteropoly and isopoly anions of W, Mo, V.
Standard reduction potentials and their diagrammatic representations Ellingham
diagram. Latimer and Frost diagrams. Pourbaix diagram.
Differences between 4f and 5f orbitals. Magnetic and spectroscopic properties. Uranyl
compounds. Trans-actinide elements. Super heavy elements production and chemistry.
Unit 6: Nuclear and Radiation Chemistry (9hrs)

Structure of nucleus: shell, liquid drop, Fermi gas, collective and optical models.
Nuclear reaction: Bethe`s notation of nuclear process- Types-reaction cross section-
photonuclear and thermonuclear reactions.
Nuclear fission: Theory of fission- neutron capture cross section and critical size.
Nuclear fusion. Neutron activation analysis
Radiation chemistry: Interaction of radiation with matter. Detection and measurement of
radiation- GM and scintillation counters radiolysis of water- radiation hazards-
radiation dosimetry.
References
1. N.N. Greenwood and A.Earnshaw, Chemistry of Elements, 2/e, Elsevier Butterworth-
Heinemann,2005.
2. J.E.Huheey, E.A.Keiter, R.L.Keiter. O.K.Medhi. Inorganic Chemistry, principles of
structure and reactivity, Pearson Education, 2006.
3. G.L.Miessler, D.A.Tarr, Inorganic Chemistry, Pearson, 2010.
4. D.F.Shriver, P.W.Atkins, Inorganic Chemistry, Oxford University Press, 2002
5.William W Porterfield, Inorganic Chemistry-A unified approach, Academic
Press,2005.
6. Keith F Purcell, John C Kotz, Inorganic Chemistry, Cengage Learning, 2010.
7. James E House, Inorganic Chemistry, Academic Press, 2008.
8. H.J.Arnikar, Essentials of Nuclear chemistry, New Age International, 2005.
9. Friedlander and J.W.Kennedy, Introduction to Radiochemistry, John Wiley and Sons,
1981.
10.S.Glastone, Source Book on Atomic Energy, 3 rdedn., Affiliated East-West Press
Pvt.Ltd., 1967.
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CH1CO3 - STRUCTURE AND REACTIVITY OF ORGANIC COMPOUNDS

(3 Credits, 54hrs)
Unit 1: Structure and Bonding in Organic Molecules (9hrs)

Nature of Bonding in Organic Molecules: Localized and delocalized chemical bonding,
bonding weaker than covalent bond, cross- conjugation, resonance, rules of resonance,
resonance hybrid and resonance energy, tautomerism, hyperconjugation, - interactions,
p-d bonding (ylides).
Hydrogen bonding: Inter and intra-molecular hydrogen bonding. Range of the energy of
hydrogen bonding. Effect of hydrogen bond on conformation, physical and chemical
properties of organic compounds- volatility, acidity, basicity and stability. Stabilization of
hydrates of glyoxal and chloral, and ninhydrin. High acid strength of maleic acid
compared to fumaric acid. Electron donor-acceptor complexes, crown ether complexes,
cryptates, inclusion compounds and cyclodextrins.
Hckel MO method. MOs of simple molecules, ethylene, allyl radical and 1,3butadiene.
Hckel rule and modern theory of aromaticity, criteria for aromaticity and antiaromaticity,
MO description of aromaticity and antiaromaticity. Homoaromaticity. Aromaticity of
annulenes and heteroannulenes, fused ring systems, fulvenes, fulvalenes, azulenes,
pentalenes and heptalenes. Preparation of aromatic and antiaromatic compounds by
different methods, stability of benzylic cations and radicals. Effect of delocalized electrons
on pKa.
Unit 2: Structure and Reactivity (9hrs)

Transition state theory, Potential energy vs reaction co-ordinate curve, substituent effects
(inductive, mesomeric, inductomeric, electomeric and field effects) on reactivity.
Qualitative study of substitution effects in SN1-SN2 reactions. Neighbouring group
participation, participation of carboxylate ion, halogen, hydroxyl group, acetoxy group,
phenyl group and pi -bond. Classical and nonclassical carbocations
Basic concepts in the study of organic reaction mechanisms: Application of experimental
criteria to mechanistic studies, kinetic versus thermodynamic control- Hammond
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postulate, BellEvansPolanyi principle, Marcus equation, Curtin-Hammet principles,.

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Acidity constant, Hammet acidity function.

Isotope effect (labeling experiments), stereochemical correlations. Semiquantitative study
of substituent effects on the acidity of carboxylic acids. Quantitative correlation of
substituent effects on reactivity. Linear free energy relationships. Hammet and Taft
equation for polar effects and Taft's steric substituent constant for steric effect. Solvent
effects.
Unit 3: Conformational Analysis I (9hrs)

Factors affecting the conformational stability of molecules dipole interaction, bond
opposition strain, bond angle strain. Conformation of acyclic compounds Ethane, n-
butane, alkene dihalides, glycols, chlorohydrines, tartaric acid, erythro and threo isomer.
Interconversion of axial and equatorial bonds in chair conformation of cylohexane
distance between the various H atoms and C atoms in chair and boat conformations.
Monosubstituted cyclohexanemethyl and t-butyl cyclohexanesflexible and rigid systems.
Conformation of substituted cyclohexanone, 2-bromocyclohexanone, dibromocyclo
hexanone, (cis & trans), 2-bromo-4,4-dimethyl cyclohexanone. Anchoring group and
conformationaly biased molecules. Conformations of 1,4 -cis and -trans disubstituted
cyclohexanes in which one of the substituent is 1-butyl and their importance in assessing
the reactivity of an axial or equatorial substituent.
Unit 4: Conformational Analysis II (9 hrs)

Effect of conformation on the course and rate of reactions in (a) debromination of dl and
meso 2,3-dibromobutane or stilbene dibromide using KI. (b) semipinacolic deamination of
erythro and threo 1,2-diphenyl-1-(p-chlorophenyl)-2-amino ethanol. (c) dehydro
halogination of stilbene dihalide (dl and meso) and erythreo threo- bromo-1,2-diphenyl
propane.
Effect of conformation on the course and rate of reactions in cyclohexane systems
illustrated by: (a) SN2 and SN1 reactions for (i) an axial substituent, and (ii) an equatorial
substituent in flexible and rigid systems. (b) E1, E2 eliminations illustrated by the
following compounds. (i) 4-t-Butylcyclohexyl tosylate (cis and trans) (ii) 2-
Phenylcyclohexanol (cis and trans) (iii) Menthyl and neomenthyl chlorides and benzene
hexachlorides. (c) Pyrolytic elimination of esters (cis elimination) (d) Esterification of
axial as well as equatorial hydroxyl and hydrolysis of their esters in rigid and flexible
systems. (Compare the rate of esterification of methanol, isomenthol, neomenthol and
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neoisomenthol). (f) Esterification of axial as well as equatorial carboxyl groups and

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hydrolysis of their esters. (g) Hydrolysis of axial and equatorial tosylates. (h) Oxidation of
axial and equatorial hydroxyl group to ketones by chromic acid.
Bredts rule. Stereochemistry of fused, bridged and caged ring systemsdecalins,
norbornane, barrelene and adamantanes.
Unit 5: Stereochemistry (9hrs)

Conformation and configuration, Fischer, Newman and Sawhorse projection formulae and
their interconversion. Concept of chirality, recognition of symmetry elements and chiral
structures, conditions for optical activity, optical purity. Specific rotation and its variation
in sign and magnitude under different conditions, relative and absolute configurations,
Fisher projection formula, sequence rule R and S notation in cyclic and acyclic
compounds, CahnIngoldPrelog (CIP) rule. Mixtures of stereoisomers; enantiomeric
excess and diastereomeric excess and their determination. Methods of resolution
diastereomers. Resolution of racemates after conversion into diastereomers; use of S-
brucine, kinetic resolution of enantiomers, chiral chromatography.
Optical isomerism of compounds containing one or more asymmetric carbon atoms,
enantiotopic, homotopic, diastereotopic hydrogen atoms, prochiral centre. Pro-R, Pro-S,
Re and Si.
Optical isomerism in biphenyls, allenes and nitrogen and sulphur compounds, conditions
for optical activity, R and S notations. Optical activity in cis-trans conformational isomers
of 1,2-, 1,3- and 1,4-dimethylcyclohexanes .
Restricted rotation in biphenyls Molecular overcrowding.
Chirality due to folding of helical structures.
Geometrical isomerism E and Z notation of compounds with one and more double
bonds in acyclic systems. Configuration of cyclic compoundsmonocyclic, fused and
bridged ring systems, inter conversion of geometrical isomers. Methods of determination
of the configuration of geometrical isomers in acyclic acid cyclic systems, stereochemistry
of aldoximes and ketoximes
Unit 6: Asymmetric Synthesis (9 hrs)

Asymmetric synthesis, need for asymmetric synthesis, stereoselectivity and
stereospecificity. Chiral pool: chiral pool synthesis of beetle pheromone component (S)-
()-ipsenol from (S)-()-leucine.
Classification of Asymmetric reactions into (1) Substrate controlled (2) Chiral auxiliary
16
controlled (3) Chiral reagent controlled and (4) Chiral catalyst controlled.
Page
1. Substrate controlled asymmetric synthesis: Nucleophillic addition to chiral carbonyl
compounds. 1,2-asymmetric induction, Crams rule and Felkin-Anh model.
2. Chiral auxiliary controlled asymmetric synthesis: -Alkylation of chiral enolates,
azaenolates, imines and hydrazones, chiral sulfoxides. 1,4-Asymmetric induction and
Prelogs rule. Use of chiral auxiliary in Diels-Alder and Cope reactions.
3. Chiral reagent controlled asymmetric synthesis: Asymmetric reduction using BINAL
H. Asymmetric hydroboration using IPC2BH and IPCBH2. Reduction with CBH
reagent. Stereochemistry of Sharpless asymmetric epoxidation and dihydroxylation
4. Asymmetric aldol reaction: Diastereoselective aldol reaction and its explanation by
Zimmermann-Traxler model. Auxillary controlled aldol reaction. Double
diastereoselection-matched and mismatched aldol reactions
References:
1. R. R. Carey and R. J. Sundburg, Advanced Organic Chemistry, Part A, Springer, 5/e,
2007.
2. M. B. Smith, J. March, Marchs Advanced Organic Chemistry, John Wiley & Sons, 6/e,
2007.
3. T. H. Lowry and K. S. Richardson, Mechanism and Theory in Organic Chemistry, 3/e
AddisonWesley, 1998.
4. J. Clayden, N. Greeves, S. Warren and P. Wothers, Organic Chemistry, 2/e, Oxford
University Press,2012.
5. E. V. Anslyn and D. A. Dougherty, Modern Physical Organic Chemistry, University
Science Books, 2005.
6. M. S. Singh, Advanced Organic Chemistry: Reactions and Mechanisms, Pearson, 2013.
7. P. Sykes, A Guide book to Mechanism in Organic Chemistry, 6/e, Pearson, 2006.
8. C. K. Ingold, Structure and Mechanism in Organic chemistry, 2/e, CBS Publishers,
1994.
9. E. L. Eliel, S. H. Wilen and L. N. Mander, Stereochemistry of Carbon Compounds, John
Wiley, 1997.
10. G. L. D. Krupadanam, Fundamentals of Asymmetric Synthesis, Universities Press,
2013.
11. Okuyama and Maskill, Organic Chemistry: A Mechanistic Approach, Oxford
University Press, 2013
17
12. S. Warren and P. Wyatt, Organic Synthesis: The Disconnection Approach, 2/e, John
Page
Wiley & Sons, 2008.

CH1CO4 THERMODYNAMICS, KINETICS AND CATALYSIS

(3 Credits, 54hrs)
Unit 1: Thermodynamics (9hrs)
Review of First and Second law of thermodynamics, Third law of thermodynamics,
Need for third law, Nernst heat theorem, Apparent exceptions to third law, Applications
of Third law, Determination of Absolute entropies, Residual entropy.
Thermodynamics of Solutions: Partial molar quantities, Chemical potential, Variation of
chemical potential with temperature and pressure, Partial molar volume and its
determination, Gibbs-Duhem equation, Thermodynamics of ideal and real gases and
gaseous mixtures, Fugacities of gases and their determinations, Activity, Activity
coefficient, standard state of substance (for solute and solvents), Duhem-Margules
equation and its applications. Thermodynamics of ideal solutions, Deduction of the laws
of Raoults ebullioscopy, cryoscopy, and osmotic pressure. Non ideal solutions,
Deviations from Raoults law, Excess functions- excess free energy, excess entropy,
excess enthalpy, excess volume.
Unit 2: Thermodynamics of Irreversible Processes (9 hrs).

Simple examples of irreversible processes, general theory of non-equilibrium processes,
entropy production, the phenomenological relations, Onsager reciprocal relations,
application to the theory of diffusion, thermal diffusion, thermo-osmosis and thermo-
molecular pressure difference, electro-kinetic effects, the Glansdorf-Pregogine equation.
Unit 3: Chemical Kinetics (9 hrs)

Kinetics of reactions involving reactive atoms and free radicals - Rice - Herzfeld
mechanism and steady state approximation in the kinetics of organic gas phase
decompositions (acetaldehyde & ethane); Kinetics of chain reactions branching chain
and explosion limits (H2-O2 reaction as an example); Kinetics of fast reactions-
relaxation methods, molecular beams, flash photolysis; Solution kinetics: Factors
affecting reaction rates in solution, Effect of solvent and ionic strength (primary salt
effect) on the rate constant, secondary salt effects.
18
Page
Unit 4: Molecular Reaction Dynamics (9 hrs)
Reactive encounters: Collision theory, diffusion controlled reactions, the material
balance equation, Activated Complex theory the Eyring equation, thermodynamic
aspects of ACT; Comparison of collision and activated complex theories; The dynamics
of molecular collisions Molecular beams, principle of crossed-molecular beams;
Potential energy surfaces - attractive and repulsive surfaces, London equation,
Statistical distribution of molecular energies; Theories of unimolecular reactions -
Lindemanns theory, Hinshelwoods modification, Rice -Ramsperger and Kassel (RRK)
model.
Unit 5: Surface Chemistry (9 hrs)

Adsorption: Adsorption isotherms, Langmuir's unimolecular theory of adsorption, BET
equation, derivation, determination of surface area of adsorbents, heat of adsorption and
its determination; Experimental methods for studying surfaces SEM, TEM, and ESCA
Unit 6: Catalysis (9hrs)

Homogeneous catalysismechanism -Arrhenius intermediates and vant Hoff
intermediates - acid base catalysis specific and general acid catalysis enzyme
catalysis- Michaelis-Menten Mechanism- Auto catalysis - oscillating reactions
mechanisms of oscillating reactions (Lotko -Volterra, brusselator and oregonator)
Heterogenous catalysis adsorption and catalysis- unimolecular surface reactions
bimolecular surface reaction Langmuir-Hinshelwood mechanism and Eley-Rideal
mechanism illustration using the reaction 2CO + O2 --- 2CO2
References:
1. P. Atkins & J. De Paula, Atkinss Physical Chemistry, 10/e, OUP, 2014.
2 Keith J. Laidler, Chemical Kinetics 3rd edn., Pearson Education, 1987(Indian reprint
2008).
3. Steinfeld, Francisco and Hase, Chemical Kinetics and Dynamics, 2nd edition,
Prentice Hall International . Inc
4. Santhosh K. Upadhyay, Chemical Kinetics and Reaction Dynamics, Springer, 2006.
5. Richard I. Masel, Chemical Kinetics and Catalysis , Wiley Interscience, 2001.
6. K.J.Laidler, J.H.Meiser and B. C. Sanctuary, Physical Chemistry, Houghton Mifflin
19
Company, New York, 2003.

Page
7. A.W. Adamson, Physical Chemistry of surfaces, 4th edition, Interscience, New
York, 1982.
8. G. K. Vemulapalli, Physical Chemistry, Printice Hall of India.
9. M.K. Adam, The Physics and Chemistry of surfaces , Dover Publications
10. S. Glasstone, Thermodynamics for chemists, East-West 1973.
11. Rajaram and Kuriokose, Thermodynamics, East-West 1986
12. Pigoggine, An introduction to Thermodynamics of irreversible processes,
Interscience
13. B.G. Kyle, Chemical and Process Thermodynamics, 2nd Edn, Prentice Hall of India
20
Page
M.Sc. CHEMISTRY (CSS PATTERN) - SEMESTER II
CH2CO5 - APPLICATIONS OF QUANTUM MECHANICS AND

GROUP THEORY (3 Credits, 54hrs)
Unit 1: Approximation Methods in Quantum Mechanics (9hrs)

Many body problem and the need of approximation methods; Independent particle
model; Variation method variation theorem with proof, illustration of variation
theorem using a trial function [e.g., x (a-x)] for particle in a 1D-box and using the trial
function e-r2 for the hydrogen atom, variation treatment for the ground state of helium
atom; Perturbation method time-independent perturbation method (non-degenerate
case only), illustration by application to particle in a ID-box with slanted bottom,
perturbation treatment of the ground state of the helium atom.
Unit 2: Quantum Mechanics of Many-electron Atoms (9hrs)

Hartree Self-Consistent Field method for atoms; Spin orbitals for many electron atoms,
symmetric and antisymmetric wave functions, Pauli's antisymmetry principle; Slater
determinants; Hartree -Fock Self- Consistent Field (HF-SCF) method for atoms, Hartree
-Fock equations (derivation not required) & the Fock operator; Roothan's concept of
basis functions Slater type orbitals (STO) and Gaussian type orbitals (GTO).
Unit 3: Chemical bonding in diatomic molecule (9hrs)

Schrdinger equation for a molecule, Born Oppenheimer approximation; Valence
Bond (VB) theory VB theory of H2 molecule, singlet and triplet state functions (spin
orbitals) of H2; Molecular Orbital (MO) theory MO theory of H2+ ion, MO theory of
H2 molecule, MO treatment of homonuclear diatomic molecules Li2, Be2, C2, N2, O2
& F2 and hetero nuclear diatomic molecules LiH, CO, NO & HF, bond order,
correlation diagrams, non-crossing rule; Spectroscopic term symbols for diatomic
molecules; Comparison of MO and VB theories.
Unit 4: Chemical Bonding in polyatomic molecules (9hrs)

Hybridization quantum mechanical treatment of sp, sp2 & sp3 hybridisation; Semi
21
empirical MO treatment of planar conjugated molecules Hckel Molecular Orbital

Page
(HMO) theory of ethylene, butadiene & allylic anion, charge distributions and bond
orders from the coefficients of HMO, calculation of free valence, HMO theory of
aromatic hydrocarbons (benzene); formula for the roots of the Hckel determinantal
equation, Frost -Hckel circle mnemonic device for cyclic polyenes.
Unit 5: Applications of Group Theory to Molecular Spectroscopy (9hrs)

Molecular vibrations - symmetry species of normal modes of vibration, construction of
cart, normal coordinates and drawings of normal modes (e.g., H2O and NH3), selection
rules for IR and Raman activities based on symmetry arguments, determination of IR
active and Raman active modes of molecules (e.g., H2O, NH3, CH4 , SF6),
complementary character of IR and Raman spectra.
Spectral transition probabilities - direct product of irreducible representations and its use
in identifying vanishing and non vanishing integrals, transition moment integral and
spectral transition probabilities, overlap integrals and conditions for overlap.
Electronic Spectra electronic transitions and selection rules, Laporte selection rule for
centro symmetric molecules.
Unit 6: Applications of Group Theory to Chemical Bonding (9hrs)

Hybridisation - Treatment of hybridization in BF3 and CH4, Inverse transformation and
construction of hybrid orbitals. Molecular orbital theory HCHO and H2O as
examples, classification of atomic orbitals involved into symmetry species, group
orbitals, symmetry adapted linear combinations (SALC), projection operator,
construction of SALC using proj ection operator, use of projection operator in
constructing SALCs for the MOs in cyclopropenyl (C3H3+) cation.
References (for Units 1 to 4)

1. F.L. Pilar, Elementary Quantum Chemistry, McGraw-Hill, 1968.
2. I.N. Levine, Quantum Chemistry, 6th Edition, Pearson Education Inc.,
3. I.N. Levine, Student Solutions Manual for Quantum Chemistry 6th Edition, Pearson
Education Inc., 2009.
4. P.W. Atkins and R.S. Friedman, Molecular Quantum Mechanics, 4th Edition, Oxford
5. M.W. Hanna, Quantum Mechanics in Chemistry, 2nd Edition, W.A. Benjamin Inc.,
1969.
22
6. Donald, A. McQuarrie, Quantum Chemistry, University Science Books, 1983 (first

Page
Indian edition, Viva books, 2003).

7. Thomas Engel, Quantum Chemistry & Spectroscopy, Pearson Education, 2006.
8. J.P. Lowe, Quantum Chemistry, 2nd Edition, Academic Press Inc., 1993.
9. Horia Metiu, Physical ChemistryQuantum Mechanics, Taylor & Francis, 2006.
10. A.K. Chandra, Introduction to Quantum Chemistry, 4th Edition, Tata McGraw-Hill,
1994.
11. L. Pauling and E.B. Wilson, Introduction to Quantum Mechanics, McGraw-Hill,
1935 (A good source book for many derivations).
12. R.L. Flurry, Jr., Quantum Chemistry, Prentice Hall, 1983.
13. R.K. Prasad, Quantum Chemistry, 3rd Edition, New Age International, 2006.
14. M.S. Pathania, Quantum Chemistry and Spectroscopy (Problems & Solutions),
Vishal Publications, 1984.
15. C.N. Datta, Lectures on Chemical Bonding and Quantum Chemistry, Prism Books
Pvt. Ltd.,1998.
16. Jack Simons, An Introduction to Theoretical Chemistry, Cambridge University
Press, 2003.
For Units 5&6

1. F.A.Cotton, Chemical applications of Group Theory, 3rd Edition, John Wiley &Sons
Inc. 2003.
2. H. H. Jaffe and M. Orchin, Symmetry in Chemistry, John Wiley &Sons Inc., 1965.
3 .L.H. Hall, Group Theory and Symmetry in Chemistry, McGraw Hill, 1969.
4.R. McWeeny, Symmetry: An Introduction to Group Theory and its Applications,
Pergamon Press, London, 1963.
5. P.H. Walton, Beginning Group Theory for Chemistry, Oxford University Press Inc.,
NewYork, 1998.
6. Mark Ladd, Symmetry & Group Theory in Chemistry, Horwood 1998.
7. A. Salahuddin Kunju & G. Krishnan, Group Theory & its Applications in Chemistry,
PHI Learning Pvt. Ltd. 2010.
8. Arthur M Lesk, Introduction to Symmetry & Group theory for Chemists, Kluwer
Academic Publishers, 2004.
9. K.Veera Reddy, Symmetry & Spectroscopy of Molecules 2 nd Edn., New Age
International 2009.
10. A.W. Joshi, Elements of Group Theory for Physicists, New Age International
23
Publishers, 1997.
Page
CH2CO6 - CO-ORDINATION CHEMISTRY (3Credits, 54hrs)
Unit 1: Stability of Co-ordination Compounds (9hrs)

Stereochemistry of coordination compounds. Stepwise and overall formation constants
and the relationship between them. Trends in stepwise formation constants.
Determination of binary formation constants by pH-metry and spectrophotometry.
Stabilisation of unusual oxidation states. Ambidentate and macrocyclic ligands. Chelate
effect and its thermodynamic origin. Macrocyclic and template effects.
Unit 2: Theories of Bonding in Coordination Compounds (9hrs)

Sidgwick`s electronic interpretation of coordination. The valence bond theory and its
limitations. The crystal field and ligand field theories. Splitting of d-orbitals in
octahedral, tetrahedral and square planar fields. Factors affecting crystal field splitting.
Spectrochemical and nephelauxetic series. Racah parameters. Jahn-Teller effect.
Molecular orbital theory-composition of ligand group orbitals. MO diagram of
octahedral, tetrahedral and square planar complexes. -bonding and molecular orbital
theory.
Unit 3: Electronic Spectra and Magnetic Properties of Complexes (9hrs)

Spectroscopic ground state. Terms of d n configurations. Selection rules for d-d
transitions. Effect of ligand fields on RS terms in octahedral and tetrahedral complexes.
Orgel diagrams. Calculation of Dq, B and parameters. Tanabe-Sugano diagrams.
Charge transfer spectra.
Types of magnetic properties-Paramagnetism and diamagnetism. Curie and Curie-Weiss
laws.The J , L+S , and S expressions. Orbital contribution to magnetic moment and its
quenching. Spin-orbit coupling. Temperature independent paramagnetism.
Antiferromagnetism- types and exchange pathways. Determination of magnetic
moment by Gouy method.
Unit 4: Characterization of Coordination Complexes (9hrs)

24
Infrared spectra of metal complexes. Group frequency concept. Changes in ligand

Page
vibrations on coordination- metal ligand vibrations. Application in coordination

complexes. ESR spectra application to copper complexes. NMR spectroscopy for
structural studies of diamagnetic metal complexes from chemical shift and spin- spin
coupling. Mossbauer spectroscopy- the Mossbauer effect, hyperfine interactions
(qualitative treatment). Application to iron and tin compounds.
Unit 5: Reaction Mechanism of Metal Complexes (9hrs)

Ligand substitution reactions. Labile and inert complexes. Rate laws. Classification of
mechanisms-D, A and I mechanisms. Substitution reactions in octahedral complexes.
The Eigen-Wilkins Mechanism. Fuoss-Eigen equation. Aquation and base hydrolysis-
mechanism.
Substitution reactions in square planar complexes. The trans effect-Applications and
theories of trans effect. The cis effect.
Unit 6: Redox and Photochemical Reactions of Complexes (9hrs)

Classification of redox reaction mechanisms. Outer sphere and inner sphere
mechanisms. Marcus equation. Effect of the bridging ligand. Methods for distinguishing
outer- and inner-sphere redox reactions.
Photochemical reactions of metal complexes- Prompt and delayed reactions. Exited
states of metal complexes- Interligand, ligand field, charge transfer and delocalized
states. Properties of ligand field excited states. Photosubstitution-Prediction of
substitution lability by Adamson`s rules. Photoaquation. Photo isomerisation and photo
recimization. Illustration of reducing and oxidizing character of [Ru(bipy)3]2+ in the
excited state. Metal complex sensitizers- water photolysis.
References:
1. N.N.Greenwood and A.Earnshaw, Chemistry of Elements, 2/e, Butterworth-
Heinemann, 2005.
2 J.E.Huheey, E.A.Keiter, R.L.Keiter and O.K.Medhi, Inorganic Chemistry, principles
of structure and reactivity, Pearson Education, 2006.
3. G.L.Miessler, D.A.Tarr, Inorganic Chemistry,Pearson, 2010.
4. D.F.Shriver, P.W.Atkins, Inorganic Chemistry,Oxford University Press, 2002
5. William W Porterfield, Inorganic Chemistry-A unified approach, Academic Press,
2005.
6 .Keith F Purcell, John C Kotz, Inorganic Chemistry, Cengage Learning, 2010.
25

Page
8. B.Douglas, D.McDaniel, J.Alexander, Concepts and Models of Inorganic
Chemistry,Wiley Student Edition, 2006.
9. A.W.Adamson and P.D.Fleischauer, Concepts of Inorganic Photochemistry, Wiley.
10. F.A.Cotton and G.Wilkinson, Advanced Inorganic Chemistry, Wiley.
11. A.Earnshaw, Introduction to Magnetochemistry, Academic Press, 1968.
12. R.L.Dutta and A.Shyamal, Elements of Magnetochemistry, S.Chand and Co. 1982.
13. A.E. Martell, Coordination Chemistry, Vol. I
14. R.S. Drago, Physical Methods in Inorganic Chemistry, Affiliated East- West Press
Pvt. Ltd., 1977
26
Page
CH2CO7 - REACTION MECHANISM IN ORGANIC CHEMISTRY

(3 Credits, 54hrs)
Unit 1: Aliphatic and Aromatic Substitutions (9 hrs)

Nucleophilic Aliphatic Substitution: Mechanism and Stereochemistry of SN2 and SN1
reactions. Ion pair mechanism. The effect of substrate structure, reaction medium, nature
of leaving group and nucleophile on SN2 and SN1 reactions. SNi and neighboring group
mechanism. SET mechanism. Allylic and bezylic substitutions. Ambident nucleophiles and
substrates regioselectivity.
Electrophilic Aliphatic Substitution: Mechanism and stereochemistry of SE1, SE2 (front),
SE2 (back) and SEi reactions. The effect of substrate structure, leaving group and reaction
medium on SE1 and SE2 reactions.
Electrophilic Aromatic Substitution: Arenium ion mechanism, substituent effect on
reactivity in mono and disubstituted benzene rings, ortho/para ratio, Ipso substitution.
Relationship between reactivity and selectivity. Nucleophilic Aromatic substitution:
Additionelimination (SNAr) mechanism, elimination-addition (benzyne) mechanism, cine
substitution, SN1 and SRN1 mechanism. The effect of substrate structure, nucleophile and
leaving group on aromatic nucleophilic substitution.
Unit 2: Addition & Elimination Reactions and Reactive Intermediates (9hrs)

(i) Addition and Elimination Reactions (6 hrs)
Mechanistic and stereochemical aspects of addition to C=C involving electrophiles,
nucleophiles and free radicals. Effect of substituents on rate of addition, orientation of
addition, addition to conjugated systems and cyclopropane rings, Michael reaction.
Mechanistic and stereochemical aspects of E1, E1cB and E2 eliminations. The effect of
substrate structure, base, leaving group and reaction medium on elimination reactions.
Saytzev vs Hofmann elimination, elimination, pyrolytic syn elimination (Ei) and
conjugate eliminations. Competition between substitution and elimination reactions,
basicity vs nucleophilicity. Extrusion reactionsextrusion of N2, CO and CO2.
(ii) Reactive Intermediates (3 hrs)
27
Reactive Intermediates: Generation, geometry, stability and reactions of carbonium ions

Page
and carbanions, free radicals, carbenes, nitrenes and benzynes.

Unit 3: Chemistry of Carbonyl Compounds (9hrs)
(i) Reactions of Carbon-heteromultiple Bonds (7 hrs)
Reactivity of carbonyl compounds toward addition, mechanistic aspects of hydration,
addition of alcohols, and condensation with nitrogen nucleophiles to aldehydes and
ketones. Addition of organometallic reagents Grignard reagents- organozinc,
organocopper and organolithium reagents to carbonyl compounds. Aldol, Perkin,
Claison, Dieckmann, Stobbe and benzoin condensation. Darzens, Knoevenagel,
Reformatsky, Wittig, Cannizaro, Mannich and Prins reactions. MPV reduction and
Oppenauer oxidation.
Addition to carbon-nitrogen multiple bond: Ritter reaction and Thorpe condensation.
Hydrolysis, alcoholysis and reduction of nitriles.
(ii) Esterification and Ester Hydrolysis (2hrs): Mechanisms of ester hydrolysis and
esterification, Acyl-oxygen and alkyl oxygen cleavage.
Unit 4: Pericyclic Reactions (9 hrs)

Phase and symmetry of molecular orbitals, FMOs of ethylene, 1,3butadiene, 1,3,5
hexatriene, allyl and 1,3-pentadienyl systems. Pericyclic reactions: electrocyclic,
cycloaddition, sigmatropic, chelotropic and group transfer reactions. Theoretical models
of pericyclic reactions: TS aromaticity method (DewarZimmerman approach), FMO
method and Correlation diagram method (WoodwardHoffmann approach). Woodward
Hoffmann selection rules for electrocyclic, cycloaddition and sigmatropic reactions.
Stereochemistry of DielsAlder reactions and regioselectivity. Cope and Claison
rearrangements. Stereochemistry of cope rearrangement and valence tautomerism. 1,3
dipolar cycloaddition reactions and ene reactions.
Unit 5: Photochemistry of Organic Compounds (9 hrs)

Photochemical excitation of molecules, spin multiplicity, Jablonski diagram,
photosensitization and quenching. Photochemistry of carbonyl compounds: Norrish typeI
cleavage of acyclic, cyclic and , unsaturated carbonyl compounds, cleavage,
hydrogen abstraction: Norrish typeII cleavage, photo reduction, photoenolization.
Photocycloaddition of ketones with unsaturated compounds: PaternoBchi reaction,
photodimerisation of , unsaturated ketones, Photo rearrangemets: Photo Fries, di
28
methane, lumiketone, oxa dimethane rearrangements. Barton and HoffmannLoeffler

Page
Freytag reactions. Photo isomerisation and dimerisation of alkenes, photo isomerisation of
benzene and substituted benzenes, photooxygenation.
Unit 6: Chemistry of Natural Products (9 h)

Chemical classification of natural products. Classification of alkaloids based on ring
structure, isolation and general methods of structure elucidation based on degradative
reactions. Structures of atropine and quinine. Terpenoids - Isolation and classification
of terpenoids, structure of steroids classification of steroids. Woodward synthesis of
cholesterol, conversion of cholesterol to testosterone. Total synthesis of Longifolene,
Reserpine, Cephalosporin, Introduction to flavonoids and anthocyanins (Structures
only)
References:
1. M. B. Smith and J. March, Marchs Advanced Organic Chemistry, 6/e, John Wiley &
Sons, 2007.
2. F. A. Carey and R. J. Sundburg, Advanced Organic Chemistry, Part A & B, 5/e,
Springer, 2007.
3. E. V. Anslyn and D. A. Dougherty, Modern Physical Organic Chemistry, University
AddisonWesley, 1998.
5. R. O. C. Norman and J. M. Coxon, Principles of Organic Synthesis, 3/e, CRC Press,
1998.
6. Peter Sykes, A Guide book to Mechanism in Organic Chemistry, 6/e, Pearson, 2006.
7. S. Sankararaman, Pericyclic Reactions-A Textbook: Reactions, Applications and
Theory, Wiley VCH, 2005.
8. I. Fleming, Molecular Orbitals and Organic Chemical Reactions, Wiley, 2009.
9. J. Sing and J. Sing, Photochemistry and Pericyclic Reactions, 3/e, New Age
International, 2012.
10. G. M. Loudon, Organic Chemistry, 4/e, Oxford University Press, 2008
11. M. B. Smith, Organic Chemistry: An Acid Base Approach, CRC Press, 2010.
12. T. Okuyama and H. Maskill, Organic Chemistry A Mechanistic Approach, Oxford
29
13. I. Fleming, Selected Organic Synthesis, John Wiley and Sons, 1982.
Page
14. T. Landbery, Strategies and Tactics in Organic Synthesis, Academic Press,

London,1989.
15. E. Corey and I.M. Chang, Logic of Chemical Synthesis, John Wiley, New York, 1989.
16. I. L. Finar, Organic Chemistry Vol 2: Stereochemistry and the Chemistry of Natural
Products, 5/e, Pearson, 2006.
17. N. R.Krishnaswamy, Chemistry of Natural Products: A Laboratory Hand Book, 2/e,
Universities Press
30
Page
CH2CO8 - ELECTROCHEMISTRY, SOLID STATE CHEMISTRY AND

STATISTICAL THERMODYNAMICS (3 Credits, 54hrs)
Unit 1: Ionic Interaction & Equilibrium Electrochemistry (9hrs)

The nature of electrolytes, Ion activity, Ion-ion and ion-solvent interaction, The
electrical potential in the vicinity of an ion, Electrical potential and thermodynamic
functions. The Debye-Hckel equation,Limiting and extended forms of the Debye-
Hckel equation, Applications of the Debye-Hckel equation for the determination of
thermodynamic equilibrium constants and to calculate the effect of ionic strength on
ion reaction rates in solution
Origin of electrode potentials-half cell potential-standard hydrogen electrode, reference
electrodes- electrochemical series, applications- cell potential, Nernst equation for
electrode and cell potentials, Nernst equation for potential of hydrogen electrode and
oxygen electrode- thermodynamics of electrochemical cells, efficiency of
electrochemical cells and comparison with heat engines-primary cells (Zn, MnO2) and
secondary cells (lead acid, Ni-Cd and Ni-MH cells), electrode reactions, potentials and
cell voltages, advantages and limitations three types of secondary cells.
-fuel cells; polymer electrolyte fuel cell (PEMFCs), alkaline fuel cells (AFCs),
phosphoric acid fuel cells (PAFCs), direct methanol fuel cells, electrode reactions and
potentials, cell reactions and cell voltages, advantages and limitations of four types of
fuel cells
Unit 2: Dynamic Electrochemistry (9hrs)

Electrical double layer-electrode kinetics of electrode processes, the Butler-Volmer
equation-The relationship between current density and overvoltage, the Tafel equation.
Polarization - electrolytic polarization, dissolution and deposition potentials,
concentration polarization; Overvoltage: hydrogen overvoltage and oxygen overvoltage:
decomposition potential and overvoltage, individual electrode over voltages and its
determination-metal deposition over voltage and its determination- theories of hydrogen
overvoltage, the catalytic theory, the slow discharge theory, the electrochemical theory.
31
Principles of polarography -dropping mercury electrode, the half wave potential.

Page
UNIT 3: Solid State I (9hrs)
Crystal symmetry: Symmetry elements and symmetry operations, mathematical proof
for the non-existence of 5-fold axis of symmetry, crystal systems, Bravais lattices and
crystal classes, Crystallographic point groups - Schnflies & HermannMauguin
notations, Stereographic projections of the 27 axial point groups, translational symmetry
elements & symmetry operations - screw axes and glide planes, introduction to space
groups.
Braggs law and applications, lattice planes and miller indices, d-spacing formulae,
crystal densities and unit cell contents,
Imperfections in solids - point, line and plane defects, non-stoichiometry.
UNIT 4: Solid State II (9hrs)

Electronic structure of solids free electron theory, band theory & Zone theory,
Brillouin zones; Electrical properties - electrical conductivity, Hall effect, dielectric
properties, piezo electricity, ferro-electricity and ionic conductivity; Superconductivity-
Meissner effect, brief discussion of Cooper theory of superconductivity; Optical
properties - photo conductivity, luminescence, colour centers, lasers, refraction &
birefringence; Magnetic properties - diamagnetism, paramagnetism, ferromagnetism,
antiferromagnetism & ferrimagnetism; Thermal properties - thermal conductivity &
specific heat
Unit 5: Statistical Thermodynamics- I (9hrs)

Fundamentals concept of distribution, thermodynamic probability and most probable
distribution, ensembles, statistical mechanics for systems of independent particles and
its importance in chemistry, thermodynamic probability & entropy, idea of microstates
and macrostates, statistical weight factor (g), Sterling approximation, Maxwell-
Boltzman statistics. The molecular partition function and its relation to the
thermodynamic properties, derivation of third law of thermodynamics, equilibrium-
constant & equi-partition principle in terms of partition functions, relation between
molecular & molar partition functions, factorisation of the molecular partition function
into translational, rotational, vibrational and electronic parts, the corresponding
contributions to the thermodynamic properties; Evaluation of partition functions and
thermodynamic properties for ideal mono-atomic and diatomic gases.
32
Page
Unit 6: Statistical Thermodynamics- II (9hrs)
Heat capacities of solids - classical and quantum theories, Einsteins theory of atomic
crystals and Debyes modification.
Quantum Statistics: Bose - Einstein distribution law, Bose-Einstein condensation,
application to liquid helium; Fermi - Dirac distribution law, application to electrons in
metals; Relationship between Maxwell-Boltzman, Bose-Einstein, and Fermi-Dirac
statistics.
References:
For Units 1-4

1. D. R. Crow, Principles and Applications of Electrochemistry, Chapman and Hall
London, 1979.
2. J.O.M. Bockris and A.K.N. Reddy, Modern Electrochemistry, Vol. I and II,
Kluwer Academic / Plenum Publishers, 2000.
3. Carl. H. Hamann, A. Hamnett, W.Vielstich, Electrochemistry 2nd edn., Wiley-
VCH, 2007.
4. Philip H Reiger, Electrochemistry 2nd edn., Chapman & Hall, 1994.
5. Praveen Tyagi, Electrochemistry, Discovery Publishing House, 2006.
6. D.A. McInnes, The Principles of Electrochemistry, Dover publications, 1961.
7. L.V. Azaroff, Introduction to Solids, McGraw Hill, NY, 1960.
8. A.R. West, Basic Solid State Chemistry 2nd edn., John Wiley & Sons, 1999.
3. A.R. West, Solid State Chemistry & its Applications, John Wiley & Sons, 2003
(Reprint 2007).
4. Charles Kittel, Introduction to Solid State Physics, 7th edn, John Wiley &
Sons, 2004 (Reprint 2009).
5. Mark Ladd, Crystal Structures: Lattices & Solids in Stereo view, Horwood, 1999.
6. Richard Tilley, Crystals & Crystal Structures, John Wiley & Sons, 2006.
7. C. Giacovazzo (ed.) Fundamentals of Crystallography 2nd edn., Oxford Uty.
Press, 2002.
8. Werner Massa, Crystal Structure Determination 2nd edn., Springer 2004.
9. N.B. Hanna, Solid state Chemistry, Prentice Hall
33
For Units 5 & 6

Page
1. G.S. Rush Brooke, Statistical mechanics, Oxford University Press.

2. T.L. Hill, Introduction to statistical thermodynamics, Addison Wesley.
3. K. Huary, Statistical mechanics, Thermodynamics and Kinetics , John Wiley.
4. O.K.Rice, Statistical mechanics, Thermodynamics and Kinetics, Freeman and Co.
5. F.C. Andrews, Equilibrium statistical mechanics , John Wiley and sons, 1963.
6. M.C. Guptha, Statistical Thermodynamics , Wiley eastern Ltd., 1993.
34
Page
M.Sc. CHEMISTRY SEMESTER I & II
CH1PO1 & CH2PO4 INORGANIC CHEMISTRY PRACTICALS I & II

(4 Credits)
UNIT 1: Inorganic Cation Mixture Analysis
Separation and identification of four metal ions of which two are less familiar
elements like W, Se Te, Mo, Ce, Th, Ti, Zr, V, U and Li. (Eliminating acid radicals
not present). Confirmation by spot tests.
UNIT 2: Volumetric Analysis

Volumetric Determinations using:
(a) EDTA (Al, Ba, Ca, Cu, Fe, Ni, Co, hardness of water)
(b) Cerimetry (Fe2+, nitrite)
(c) Potassium Iodate (Iodide, Sn2+)
UNIT 3: Colorimetric Analysis

Colorimetric Determinations of metal ions Fe, Cr, Ni, Mn and Ti.
References
1. G.H. Jeffery, J. Basseett, J. Mendham and R.C. Denny, Vogel's Text book of
Quantitative Chemical Analysis, 5th Edition, ELBS, 1989.
2. D.A. Skoog and D.M. West, Analytical Chemistry, An Introduction, 4th
Edition, CBS Publishing Japan Ltd., 1986.
3. E.J. Meehan, S. Bruckenstein and I.M. Kolthoff and E.B. Sandell, Quantitative
Chemical Analysis, 4th Edition, The Macmillan Company, 1969.
4. R.A. Day (Jr.) and A.L. Underwood, Quantitative Analysis, 6th Edition, Prentice
Hall of India, 1993.
35
Page
CH1PO2 & CH2PO5 ORGANIC CHEMISTRY PRACTICALS I & II

(4 Credits)
Unit 1: Laboratory Techniques
Methods of Separation and Purification of Organic Compounds fractional, steam
and low-pressure distillations, fractional crystallisation and sublimation.
Unit 2: Separation and identification of the components of organic binary

mixtures. (Microscale analysis is preferred)
Analysis of about ten binary mixtures, some of which containing compounds with
more than one functional group. Separation and identification of a few ternary
mixtures.
Unit 3: Organic preparations-double stage (minimum six) and three stage

(minimum two)
References:
1. B.S. Furnis, A.J. Hannaford, P.W.G. Smith and A.R. Tatchell, Vogel's Textbook of
Practical Organic Chemistry, 5/e, Pearson, 1989.
2. Shriner, Fuson and Cartin, Systematic Identification of Organic Compounds,
1964.
3. Fieser, Experiments in Organic Chemistry, 1957.
4. Dey, Sitaraman and Govindachari, A Laboratory Manual of Organic Chemistry,
3rdEdition, 1957.
5. P.R. Singh, D.C. Gupta and K.S. Bajpal, Experimental Organic Chemistry, Vol. I
and II, 1980.
6. Vishnoi, Practical Organic Chemistry.
7. Pavia, Kriz, Lampman, and Engel, A Microscale Approach to Organic Laboratory
Techniques, 5/e, Cengage, 2013.
8. Mohrig, Hammond and Schatz, Techniques in Organic Chemistry: Miniscale,
Standard Taper Microscale and Williamson Microscale, 3/e, W. H. Freeman and
36
Co., 2010.
Page
CH1PO3 & CH2PO6 PHYSICAL CHEMISTRY I & II (4 Credits)
SECTION A
Unit 1: Solubility and Heat of solution (minimum 2 experiments)
1. Determination of molar heat of solution of a substance (e.g., ammonium oxalate, succinic
acid) from solubility data - analytical method and graphical method
Unit 2: Phase Equilibria (minimum 3 experiments)

1. (a) Determination of phase diagram of a simple eutectic system (e.g., Biphenyl, Naphthalene-
Diphenyl amine) (b) Determination of the composition of a binary solid mixture.
2. Determination of phase diagram of a binary solid system forming a compound (e.g.,
Naphthalene m-dinitrobenzene).
Unit 3: Viscosity (minimum 2 experiments)

1. Viscosity of mixtures - Verification of Kendalls equation (e.g., benzene -
nitrobenzene, water-alcohol).
2. Determination of molecular weight of a polymer (e.g., polystyrene in
Unit 4: Distribution Law (minimum 3 experiments)

1. Determination of distribution coefficient of I2 between CCl4 and H2O.
2. Determination of equilibrium constant of KI + I2 = KI3
3. Determination of concentration of KI solution
SECTION B
Unit 5: Refractometry (minimum 3 experiments)
1. Determination of molar refractions of pure liquids (e.g., water,
methanol, ethanol, chloroform, carbon tetrachloride, glycerol)
2. Determination of composition of liquid mixtures (e.g., alcohol -water,
glycerol-water)
37
3. Determination of molar refraction and refractive index of a sol id

Page
Unit 6: Conductivity (minimum 4 experiments)
1. Determination of equivalent conductance of a weak electrolyte (e.g.,
acetic acid), verification of Ostwald's dilution law and calculation of dissociation constant.
2. Determination of solubility product of a sparingly soluble salt (e.g., AgCl, BaSO4)
3. Conductometric titrations
(a) HCl vs NaOH
(b) (HCl + CH3-COOH) vs NaOH
4. Determination of the degree of hydrolysis of aniline hydrochloride
Unit 7: Potentiometry (minimum 3 experiments)

1. Potentiometric titration: HCl vs NaOH, CH3-COOH vs NaOH
2. Redox titration: KI vs KMnO4, FeSO4 vs K2Cr2 O7
3. Determination of dissociation constant of acetic acid by potentiometric titration
4. Determination of pH of weak acid using Potentiometry
5. Determination of pH of acids and bases using pH meter
References:
1. A. Finlay, Practical Physical Chemistry, Longmans Green & Co.
2. J.B. Firth, Practical Physical Chemistry, Read Books (Reprint 2008).
3. A.M. James, Practical Physical Chemistry, Longman, 1974.
4. F. Daniel, J.W. Williams, P. Bender, R.A. Alberty, C.D. Cornwell and J.E. Harriman,
Experimental Physical Chemistry , McGraw Hill, 1970.
5. W.G. Palmer, Experimental Physical Chemistry, 2nd Edition, Cambridge University Press,
1962.
6. D.P. Shoemaker and C.W. Garland, Experimental Physical Chemistry, McGraw Hill.
7. J. B. Yadav, Advanced Practical Physical Chemistry, Goel Publications, 1989.
8. B. Viswanathan & R.S. Raghavan, Practical Physical Chemistry, Viva Books, 2009
38
Page
M.Sc. CHEMISTRY (CSS PATTERN) - SEMESTER III
CH3CO9 - MOLECULAR SPECTROSCOPY (3 Credits, 54hrs)
Unit1: Basic Aspects and Microwave Spectroscopy - Theory only (9hrs)

Electromagnetic radiation & its different regions, Interaction of matter with radiation and its
effect on the energy of a molecule, Factors affecting the width and Intensity of Spectral lines-
Microwave spectroscopy - Rotation spectra of diatomic and poly atomic molecules - rigid and
non-rigid rotator models, asymmetric, symmetric and spherical tops, isotope effect on rotation
spectra, Stark effect, nuclear and electron spin interactions, rotational transitions and selection
rules, determination of bond length using microwave spectral data.
Unit 2: Infrared, Raman and Electronic Spectroscopy - Theory only (9hrs)

Vibrational spectroscopy -Normal modes of vibration of a molecule; Vibrational spectra of
diatomic molecules, anharmonicity, Morse potential, fundamentals, overtones, hot bands,
combination bands, difference bands; Vibrational spectra of polyatomic molecules; Vibration-
rotation spectra of diatomic and polyatomic molecules, spectral branches -P, Q & R branches.
Raman spectroscopy Classical and Quantum theory of Raman effect Pure rotational & pure
vibrational Raman spectra, vibrational-rotational Raman spectra, selection rules, mutual
exclusion principle; Introduction to Resonance Raman spectroscopy (basics only).
Electronic Spectroscopy- Characteristics of electronic transitions Vibrational coarse structure,
intensity of electronic transitions, Franck - Condon principle, types of electronic transitions;
Dissociation and pre-dissociation; Ground and excited electronic states of diatomic molecules;
Electronic spectra of polyatomic molecules; Electronic spectra of conjugated molecules;
Unit 3: Magnetic Resonance Spectroscopy - Theory only (9hrs)

NMR: Quantum mechanical description of Energy levels-Population of energy-Transition
probabilities using ladder operators-Nuclear shielding- Chemical shift- Spin-Spin coupling and
splitting of NMR signals- Quantum mechanical Description- AX and AB NMR pattern-Effect of
Relative magnitudes of J (Spin-Spin coupling) and Chemical Shift on the spectrum of AB type
molecule. Karplus relationship.- Nuclear Overhauser Effect- FT NMR- Pulse sequence for T1
39
and T2 (Relaxation ) measurements. 2D NMR COSY

Page
Electron Spin Resonance: Quantum mechanical description of electron spin in a magnetic field-
Energy levels-Population- Transition probabilities using Ladder operators- g factor-hyperfine
interaction-Mc Connell Relation-Equivalent and non equivalent nucleus- g anisotropy- Zero field
splitting -Kramers theorem.
Mossbauer Spectroscopy: The Mossbauer effect, hyperfine interactions, isomer shift, electric
quadruple and magnetic hyperfine interactions.
UNIT 4: Electronic & Vibrational Spectroscopy in Organic Chemistry (9hrs)

UV-Visible spectroscopy: Factors affecting the position and intensity of electronic absorption
bands conjugation, solvent polarity and steric parameters. Empirical rules for calculating max
of dienes, enones and benzene derivatives.
Optical Rotatory Dispersion and Circular Dichroism: Linearly and circularly polarized lights,
circular birefringence, elipticity and circular dichroism, ORD and Cotton effect. Octant rule and
Axial haloketone rule for the determination of conformation and configuration of 3-methyl
cyclohexanone and cis- and trans-decalones. CD curves.
Infrared Spectroscopy: Functional group and finger print regions, Factors affecting vibrational
frequency: Conjugation, coupling, electronic, steric, ring strain and hydrogen bonding.
Important absorption frequencies of different class of organic compounds- hydrocarbons,
alcohols, thiols, carbonyl compounds, amines, nitriles.
UNIT 5: NMR Spectroscopy in Organic Chemistry (9hrs)

1
HNMR: Chemical shift, factors influencing chemical shift, anisotropic effect. Chemical shift
values of protons in common organic compounds, Chemical, magnetic and stereochemical
equivalence. Enantiotopic, daisteriotopic and homotopic protons. Protons on oxygen and
nitrogen. Quadrapole broadening. Spin spin coupling, types of coupling. Coupling constant,
factors influencing coupling constant, effects of chemical exchange, fluxional molecules,
hindered rotation on NMR spectrum, First order and non first order nmr spectra, Simplification
of NMR spectra: double resonance, shift reagents, increased field strength, deuterium labelling.
NOE spectra, heteronuclear coupling. Introduction to COSY, HMBC, HMQC spectra.
13
CNMR: General considerations, comparison with PMR, factors influencing carbon chemical
shifts, carbon chemical shifts and structure-saturated aliphatics, unsaturated aliphatics, carbonyls,
and aromatics. Off-resonance and noise decoupled spectra, Introduction to DEPT, INEPT,
40
INADEQUATE.
Page
UNIT 6: Mass Spectrometry and Spectroscopy for Structure Elucidation (9hrs)
Mass Spectrometry: Basic concept of EIMS. Molecular ion and meta stable ion peaks, Isotopic
peaks. Molecular weight and molecular formula. Single and multiple bond cleavage,
rearrangements -McLafferty rearrangements. Fragmentation pattern of some common organic
compounds saturated and unsaturated hydrocarbons, ethers, alcohols, aldehydes and ketones,
amines and amides. High resolution mass spectrometry, index of hydrogen deficiency, Nitrogen
rule and Rule of Thirteen. Ionization techniques. FAB spectra.
Structural determination of organic compounds using spectroscopic techniques (Problem solving
approach)
References: For Units 1, 2 & 3:
1. G.M. Barrow, Introduction to Molecular Spectroscopy, McGraw Hill, 1962.
2. C.N. Banwell & E. M. McCash, Fundamentals of Molecular Spectroscopy, Tata McGraw
Hill,New Delhi, 1994.
3. Thomas Engel, Quantum Chemistry & Spectroscopy, Pearson education, 2006.
4. P. Atkins & J. De Paula, Atkinss Physical Chemistry, 8th Edition, W.H. Freeman & Co.,
2006.
5. D.A. McQuarrie and J.D. Simon, Physical Chemistry - A Molecular Approach, University
6. D.N. Sathyanarayana, Electronic Absorption Spectroscopy and Related Techniques,
UniversityPress, 2000.
7. R.S. Drago, Physical methods for Chemists, Second edition, Saunders College Publishing
1977 (For NMR and EPR, Mossbauer)
8. Gunther, NMR Spectroscopy: Basic Principles, Concepts and Applications in Chemistry, 2/e,
John Wiley
9. Ferraro, Nakamoto and Brown, Introductory Raman Spectroscopy, 2/e, Academic Press,
2005.
For Units 4, 5 & 6
1. Lambert, Organic Structural Spectroscopy, 2/e,Pearson
2. Silverstein, Spectrometric Identification of Organic Compounds, 6/e,John Wiley
3. Pavia, Spectroscopy, 4/e, Cengage
4. Jag Mohan, Organic Spectroscopy: Principles and Applications, 2/e,Narosa
5. Fleming, Spectroscopic Methods in Organic Chemistry, 6/e, McGraw-Hill
41
6. P S Kalsi, Spectroscopy of organic compounds, New Age International, 2007

Page
7. William Kemp, Organic Spectroscopy, 3e, Palgrave, 2010

CH3C10 - ORGANOMETALLIC AND BIOINORGANIC CHEMISTRY (3Credits, 54h)
Unit 1: Introduction to Organometallic Chemistry (9hrs)

Historical background. Classification and nomenclature. Alkyls and aryls of main group metals.
Organometallic compounds of transition metals. The 18-electron rule-electron counting by
neutral atom method and oxidation state method. The 16-electron rule.
Metal carbonyls- Synthesis, structure, bonding and reactions. Nytrosyl, dihydrogen and
dinitrogen complexes. Transition metal to carbon multiple bond-metal carbenes and carbines.
Unit 2: Organometallic Compounds of Linear and Cyclic -Systems (9hrs)

Transition metal complexes with linear - systems-Hapticity. Sythesis , structure,bonding and
properties of complexes with ethylene,allyl,butadiene and acetylene. Complexes of cyclic -
systems-Synthesis,structure,bonding and properties of complexes with cyclobutadiene, C5H5 -
C6H6, C7H7+ and C8H82-. Fullerene complexes. Fluxional organometallics.
Unit 3: Organometallic Reactions and Catalysis (9hrs)

Organometallic reactions- ligand dissociation and substitution- Oxidative addition and reductive
elimination.Insertion reactions involving CO and alkenes. Carbonylation by Collman`s reagent.
Electrophilic and Nucleophilic attack on coordinated ligand.
Homogeneous and heterogeneous catalysts.
Homogeneous catalysis by organometallic compounds: Hydrogenation by Wilkinson`s catalyst,
Hydroformylation, Wacker process, Monsanto acetic acid process, Cativa process and olefin
metathesis.
Heterogeneous catalysis by organometalic compounds: Ziegler-Natta polymerizations, Fischer-
Tropsch process and water gas shift reaction.
Unit 4: Metal Clusters (9hrs)

Metal-Metal bond and metal clusters. Bonding in metal-metal single,double,triple and quadruple
bonded non-carbonyl clusters. Carbonyl clusters-electron count and structure of clusters. Wade-
42
Mingos-Lauher rules. Structure and isolobal analogies. Carbide clusters. Polyatomic Zintl anions
Page
and cations. Chevrel phases.

Unit 5: Bioinorganic Chemistry-I (9hrs)
Occurrence of inorganic elements in biological systems- bulk and trace metal ions. Emergence of
bioinorganic chemistry. Coordination sites in biologically important ligands. Ion transport across
membranes. Role of alkali metal ions in biological systems. The sodium/potassium pump.
Structural role of calcium. Storage and transport of metal ions- ferritin, transferrin and
siderophores. Oxygen transport by heme proteins-hemoglobin and myoglobin-structure of the
oxygen binding site-nature of heme-dioxygen binding-cooperativity. Hemerythrin and
hemocyanin.
Unit 6: Bioinorganic Chemistry-II (9hrs)

Metallo enzymes and electron carrier metallo proteins. Iron enzymes: Cytochrome P-450,
catalase and peroxidase.Copper enzymes: Oxidase, superoxide dismutase and tyrosinase. Lewis
acid role of Zn(II) and Mn(II) containing enzymes. Carboxypeptidase. Vitamin B12 and
coenzymes.Chlorophil II- Photosystem I and II. Nitrogen fixation-Nitrogenases. Anticancer
drugs.
References:
1. N.N. Greenwood and A.Earnshaw, Chemistry of Elements, 2/e, Elsevier Butterworth-
Heinemann, 2005.
2. J.E.Huheey, E.A.Keiter, R.L.Keiter. O.K.Medhi, Inorganic Chemistry, principles of structure
and reactivity, Pearson Education, 2006.
3. G.L.Miessler, D.A.Tarr, Inorganic Chemistry, Pearson, 2010.
4. D.F.Shriver, P.W.Atkins, Inorganic Chemistry, Oxford University Press, 2002
5. William W Porterfield, Inorganic Chemistry-A unified approach, Academic Press, 2005.
6. Keith F Purcell, John C Kotz, Inorganic Chemistry, Cengage Learning, 2010.
8. B.Douglas, D.McDaniel, J.Alexander, Concepts and Models of Inorganic Chemistry, Wiley
Student Edition, 2006.
9. F.A.Cotton and G.Wilkinson, Advanced Inorganic Chemistry, Wiley.
10. R.C.Mehrothra and A.Singh, Organometallic Chemistry, A Unified Approach, Wiley Eastern.
11. P.Powell, Principles of Organometallic Chemistry, ELBS.
12. B.D.Gupta and A.J.Elias, Basic Organometallic Chemistry, Concepts, Synthesis and
43
Applications, Universities Press, 2010.

Page
13. Piet W.N. M.van Leeuwen, Homogeneous Catalysis, Springer, 2010.

14. S.J. Lippard and J.M.Berg, Principles of Bioinorganic Chemistry, University Science Books.
15. I. Bertini, H.B. Grey, S.J. Lippard and J.S.Valentine, Bioinorganic Chemistry, Viva Books
Pvt. Ltd., 1998.
44
Page
CH3C11 - REAGENTS AND TRANSFORMATIONS IN ORGANIC CHEMISTRY

(3Credts, 54hrs)
Unit 1: Oxidations (9hrs)

Oxidation of alcohols to carbonyls using DMSO, oxoammonium ions and transition metal oxidants
(chromium, manganese, iron, ruthenium). Epoxydation of alkenes by peroxy acids, Sharpless
asymmetric epoxidation, Jacobsen epoxidation, dihydroxylation of alkenes using permanganate ion
and osmium tetroxide, Prvost and Woodward dihydroxylations, Sharpless asymmetric
dihydroxylation. Allylic oxidation with CrO3Pyridine reagent. Oxidative cleavage of alkenes to
carbonyls using O3. Oxidative decarboxylation, Riley reaction, BaeyerVilliger oxidation, Dess
Martin oxidation, Swern oxidation, hydroborationoxidation.
Unit 2: Reductions (9hrs)

Catalytic hydrogenation of alkenes and other functional groups (heterogeneous and homogeneous),
Noyori asymmetric hydrogenation, hydrogenolysis. Liquid ammonia reduction with alkali metals.
Metal hydride reductions. Reduction of carbonyl group with hydrazine, ptosylhydrazine, diimide
and semicarbazide. Clemmensen reduction, Birch reduction. WolffKishner reduction, Bouveault
Blanc reduction, MPV reduction, hydroboration, Pinacol coupling, McMurry coupling, Shapiro
reaction.
Unit 3: Synthetic Reagents (9 hrs)

Synthetic applications of Crown ethers, cyclodextrins, PTC, ionic liquids, Baker's yeast, NBS,
LDA, LiAlH4, LiBH4, DIEA, BuLi, diborane, 9BBN, tbutoxycarbonylchloride, DCC, Gilmans
reagent, lithium dimethyl cuprate, trinbutyltinhydride, 1,3dithiane, trimethyl silyl chloride,
Pb(OAc)4, ceric ammonium nitrate, DABCO, DMAP, DBU, DDQ, DEAD and Lindlar catalyst in
organic synthesis.
45
Page
Unit 4: Chemistry of Polymers (9 hrs)
Classification of polymers, chain, step, free-radical and ionic polymerizations. Plastics, rubbers
and fibers, thermosets and thermoplastics, linear, branched, cross-linked and network polymers,
block and graft copolymers.
Natural and synthetic rubbers.
Biopolymers: Primary, secondary and tertiary structure of proteins, Merrifield solid phase peptide
synthesis, Protecting groups, sequence determination of peptides and proteins, Structure and
synthesis of glutathione, structure of RNA and DNA, structure of cellulose and starch, conversion
of cellulose to rayon.
Unit 5: Chemistry of Heterocyclic Compounds (9 hrs)

Aromatic and nonaromatic heterocyclics. structure, synthesis and reactions of a few heterocyclics-
aziridine, oxirane, azetidine, pyrrole, furan, thiophene, indole, pyridine, quinoline, imidazole,
oxazole, pyrazole, and thiazole. synthesis of uracil, thymine, cytosine, adenine and guanine.
Structure and synthesis of Uric acid and Caffeine.
Unit 6: Molecular Rearrangements and Transformations (9hrs)

Rearrangements occurring through carbocations, carbanions, carbenes and nitrenes such as
WagnerMeerwein, Demjanov, dienonephenol, benzil benzilic acid, Favorskii, Wolff, Hofmann,
Curtius, Lossen, Schmidt, Beckmann, Fries, Bayer Villiger, Wittig, Orton, and Fries
rearrangements. Peterson reaction, Woodward and Prevost hydroxylation reactions. Heck, Negishi,
Sonogashira, Stille, and Suzuki coupling reactions (mechanism only)
References:
1. M. B. Smith, Organic Synthesis, 3/e, Academic Press, 2011.
2. R. O. C. Norman and J. M. Coxon, Principles of Organic Synthesis, 3/e, CRC Press, 1998.
3. W. Carruthers and I. Coldham, Modern Methods of Organic Synthesis, 4/e, Cambridge
University Press.
4. R. R. Carey and R. J. Sundburg, Advanced Organic Chemistry, Part B, 5/e, Springer, 2007.
5. M. B. Smith, J. March, Marchs Advanced Organic Chemistry, 6/e, John Wiley & Sons,
2007.
6. J. Clayden, N. Greeves, S. Warren and P. Wothers, Organic Chemistry, 2/e, Oxford
46

Page
7. J. J. Li, Name Reactions, 4/e, Springer, 2009.

8. V. K. Ahluwalia and R. Aggarwal, Organic Synthesis: Special Techniques, 2/e, Narosa
Publishing House, 2006.
9. G. Odiyan, Principles of Polymerisation, 4/e, Wiley, 2004.
10. V.R. Gowriker and Others, Polymer Science, Wiley Eastern Ltd.
11. I.L. Finar, Organic Chemistry, Vol. II, 5/e, ELBS, 1975.
12. J. A. Joules and K. Mills, Heterocyclic Chemistry, 4/e, Oxford University Press, 2004.
13. T. L. Gilchrist, Heterocyclic Chemistry, 3/e, Pearson, 1997.
Addison-Wesley, 1998.
47
Page
CH3E01 - SYNTHETIC ORGANIC CHEMISTRY (3 Credits, 54hrs)
Unit 1: Reagents for Oxidation and Reduction (9hrs)

Reagents for oxidation and reduction: Oxone, IBX, PCC, osmium tetroxide, ruthenium tetroxide,
selenium dioxide, molecular oxygen (singlet and triplet), peracids, hydrogen peroxide, aluminum
isopropoxide, periodic acid, lead tetraacetate. Wacker oxidation, TEMPO oxidation, Swern oxidation,
Woodward and Prevost hydroxylation, Sharpless asymmetric epoxidation.
Catalytic hydrogenations (heterogeneous and homogeneous), metal hydrides, Birch reduction, hydrazine
and diimide reduction.
Unit 2: Organometallic and Organo-nonmetallic Reagents (9hrs)

Synthetic applications of organometallic and organo-nonmetallic reagents: Reagents based on
chromium, nickel, palladium, silicon, and born, Gilman reagent, phase transfer catalysts, hydroboration
reactions, synthetic applications of alkylboranes. Gilmans reagent, Tri -n-butyl tin hydride, Benzene
Tricarbonyl Chromium
Unit 3: Chemistry of Carbonyl Compounds (9hrs)

Chemistry of carbonyl compounds: Reactivity of carbonyl groups in aldehydes, ketones, carboxylic
acids, esters, acyl halides, amides. Substitution at -carbon, aldol and related reactions, Claisen,
Darzen, Dieckmann, Perkin, Prins, Mannich, Stork-enamine reactions. Conjugate additions, Michael
additions and Robinson annulation. Reaction with phosphorous and sulfur ylides.
Protecting groups, functional group equivalents, reversal of reactivity (Umpolung), Introduction to
combinatorial chemistry.
Unit- 4. Coupling Reactions (9hrs)

Coupling Reactions: PalladiumCatalysts for C-N and C-O bond formation, Palladium catalyzed amine
arylation (Mechanism and Synthetic applications). Sonogashira cross coupling reaction (Mechanism,
Synthetic applications in Cyclic peptides) Stille carbonylative cross coupling reaction (Mechanism and
synthetic applications). Mechanism and synthetic applications of Negishi, Hiyama, Kumada, Heck and
48
Suzuki-Miyaura coupling reactions.

Page
Unit 5: Multi step Synthesis (9hrs)
Multi step Synthesis: Synthetic analysis and planning, Target selection, Elements of a Synthesis
(Reaction methods, reagents, catalysts, solvents, protective groups for hydroxyl, amino, Carbonyl and
carboxylic acids, activating groups, leaving groups synthesis and synthetic equivalents. Types of
selectivities (Chemo, regio, stereo selectivities) synthetic planning illustrated by simple molecules,
disconnections and functional group interconversions, uplong reactions and use in synthesis,
Introduction to retrosynthetic analysis, Synthesis of longifolene, Corey lactone, Djerassi Prelog lactone
Unit 6: Retro Synthetic Analysis and Heterocyclics (9hrs)

Retrosynthesis: General principles of retrosynthetic analysis synthons and reagents, donor and
acceptor synthons, umpolung, protecting group chemistry and functional group interconversions. One
group and two group CX and CC disconnections, functional group transposition. Examples for a
few retrosynthetic analyses paracetamol from phenol, benzocain from toluene and propranolol from
1naphthol.
Structure, synthesis and reactions of fused ring heterocycles: Benzofuran, Indole, Benzothiophene,
Quinoline, Benzoxazole, Benzthiazole, Benzimidazole, Triazoles , Oxadiazoles and Tetrazole.
Structure and synthesis of Azepines, Oxepines, Thiepins, Diazepines and Benzodiazepines
Structure and synthesis (Reichstein process) of Vitamin C (Reichstein process).
References:
2. S. Warren and P. Wyatt, Organic Synthesis: Strategy and Control, John Wiley
3. S. Warren: Organic Synthesis: The Disconnection Approach, John Wiley
4. H. O. House: Modern Synthetic Reactions, W. A. Benjamin
5. W. Carruthers and I. Coldham, Modern Methods of Organic Synthesis, 4/e, Cambridge
University Press.
6. T. W. Greene and P. G. M. Wuts: Protecting Groups in Organic Synthesis, 2nd ed., John Wiley
7. M B Smith and J. March: Advanced Organic Chemistry-Reactions, Mechanisms and Structure,
6th ed., John Wiley
8. T. H. Lowry and K. S. Richardson: Mechanism and Theory in Organic Chemistry, 3rd ed.
9. R. R. Carey and R. J. Sundburg, Advanced Organic Chemistry, Part A and B, 5/e, Springer,
49
2007
Page
10. A. Pross: Theoretical and Physical Principles of Organic Chemistry, John Wiley
11. T.W. Graham Solomons: Fundamentals of Organic Chemistry, 5th ed., John Wiley
12. I. L. Finar: Organic Chemistry Volumes 1 (6th ed.), Pearson
13. J. Clayden, N. Green, S. Warren and P. Wothers: Organic Chemistry, 2/e, Oxford University
Press
14. J. J. Li, Name Reactions, 4/e, Springer, 2009.
15. N. K. Terret: Combinatorial Chemistry, Oxford University Press, 1998.
50
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CH3EO2 - COMPUTATIONAL CHEMISTRY (ELECTIVE) (3credits, 54 hrs)
Unit 1: Introduction to Computational Chemistry (9 hrs)

Theory, computation & modeling Definition of terms; Need of approximate methods in
quantum mechanics; Computable Quantities structure, potential energy surfaces and chemical
properties; Cost & Efficiency relative CPU time, software & hardware; Classification of
computational methods.
Unit 2: Computer Simulation Methods- I (9 hrs)

Introduction molecular dynamics and Monte Carlo methods, calculation of simple
thermodynamic properties - energy, heat capacity, pressure and temperature, phase space,
practical aspects of computer simulation, periodic boundary conditions, Monitoring the
equilibration, analyzing the results of a simulation, error estimation.
Unit 3: Computer Simulation Methods- II (9 hrs)

Molecular dynamics (MD) method molecular dynamics using simple models MD with
continuous potentials, finite difference methods, choosing the time step, setting up and running a
MD simulation; Monte Carlo (MC) method - calculating properties by integration, Metropolis
method, random number generators, MC simulation of rigid molecules.
UNIT 4: ab intio Methods in Computational Chemistry (9hrs)

Review of Hartree Fock method for atoms, SCF treatment of polyatomic molecules; Closed
shell systems - restricted HF calculations; Open shell systems ROHF and UHF calculations;
The Roothan Hall equations, Koopmans theorem, HF limit & electron correlation, Introduction
to electron correlation (post -HF) methods.
UNIT 5: Density Functional Methods (9 hrs)

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Introduction to density matrices, N-reprentability & V-represetability problems, Hohenberg

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Kohn theorems, Kohn-Sham orbitals; Exchange correlation functionals

Thomas-Fermi-Dirac model, Local density approximation, generalised gradient approximation,
hybrid functionals; Comparison between DFT and HF methods.
UNIT 6: Basis Set Approximation (9 hrs)

Hydrogen-like, Slater-type & Gaussian type basis functions, classification of basis sets
minimal, double zeta, triple zeta, split-valence, polarization & diffuse basis sets, even tempered
& well tempered basis sets, contracted basis sets, Pople-style basis sets and their nomenclature,
correlation consistent basis sets, basis set truncation error, effect of choice of method/ basis set
(model chemistries) on cpu time.
References:
1. C. J. Cramer, Essentials of computational Chemistry: Theories and models, John Wiley &
Sons 2002.
2. Frank Jensen, Introduction to Computational Chemistry, John Wiley & Sons LTD 1999.
3. J. Foresman & Aelieen Frisch, Exploring Chemistry with Electronic Structure Methods,
Gaussian Inc., 2000.
4. David Young, Computational Chemistry- A Practical Guide for Applying Techniques to Real-
World Problems, Wiley -Interscience, 2001.
5. Errol G. Lewars, Computational Chemistry: Introduction to the theory and applications of
molecular quantum mechanics, 2 nd edn., Springer 2011.
6. I.N. Levine, Quantum Chemistry, 6th Edition, Pearson Education Inc., 2009.
7. P.W. Atkins & R.S. Friedman, Molecular quantum mechanics, 4th Edition, Oxford University
Press, 2005.
8. W. Koch, M.C. Holthausen, A Chemists Guide to Density Functional Theory, Wiley-VCH
Verlag 2000.
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CH3EO3 - GREEN CHEMISTRY AND NANOCHEMISTRY (ELECTIVE)

(3credits, 54 hrs)
Unit I: Introduction to green chemistry (9hrs)

Green chemistry-relevance and goals, Anastas twelve principles of green chemistry - Tools of
green chemistry: alternative starting materials, reagents, catalysts, solvents and processes with
suitable examples.
UNIT-2: Microwave mediated organic synthesis (MAOS) (9hrs)

Microwave activation advantage of microwave exposure specific effects of microwave Neat
reactions solid supports reactions _ Functional group transformations condensations reactions
oxidations reductions reactions multi-component reactions.
Unit 3: Alternative synthesis, reagents and reaction conditions (9hrs)

Introduction synthesis of ionic liquids physical properties applications in alkylation
hydroformylations expoxidations synthesis of ethers Friedel-craft reactions Diels-Alder
reactions Knoevengal condensations Wittig reactions Phase transfer catalyst - Synthesis
applications. A photochemical alternative to Friedel-crafts reactions - Dimethyl carbonate as a
methylating agent the design and applications of green oxidants super critical carbon dioxide
for synthetic chemistry.
Unit 4: Nanomaterials An Introduction & Synthetic Methods (9hrs)

Definition of nanodimensional materials - Historical milestones - unique properties due to
nanosize,Quantum dots, Classification of Nanomaterials .General methods of synthesis of
nanomaterials Hydrothermal synthesis,Solvothermal synthesis,Microwave irradiation, sol gel
and Precipitation technologies, Combustion Flame-Chemical Vapor Condensation Process, gas
Phase Condensation Synthesis,Reverse Micelle Synthesis, Polymer Mediated Synthesis,
Protein Microtube Mediated SynthesisSynthesis of Nanomaterials using microorganisms and
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other biological agents, Sonochemical Synthesis, Hydrodynamic Cavitation. Inorganic

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nanomaterials Typical examples nano TiO2 / ZnO/CdO/CdS , Organic nanomaterials
examples Rotaxanes and Catenanes
Unit 5: Techniques for Characterisation of nanoscale materials (9hrs)

Principles of Atomic force microscopy (AFM)- Transmission electron microscopy (TEM)-
Resolution and scanning transition electron microscopy (STEM) Scanning Tunneling
Microscopy (STM) Scanning nearfield optical microscopy (SNOM),Scanning ionconductance
microscope, scanning thermal microscope, scanning probe microscopes and surface plasmon
spectroscopy.
Unit 6: Carbon Clusters and Nanostructures (9hrs)

Nature of carbon bond - New carbon structures - Carbon clusters: Discovery of C60 - Alkali
doped C60 -Superconductivity in C60 - Larger and smaller fullerenes. Carbon nanotubes:
Synthesis - Single walled carbon nanotubes - Structure and characterization - Mechanism of
formation - Chemically modified carbon nanotubes - Doping - Functionalizing nanotubes -
Application of carbon nanotubes. Nanowires -Synthetic strategies - Gas phase and solution phase
growth - Growth control - Properties.
References:
For Units 1, 2 & 3
1. V. K. Ahluwalia, Green Chemistry Environmentally benign reactions, Ane Books India
(Publisher), (2006).
2. V. K. Ahluwalia, Green Chemistry : A Textbook, Narosa Publishing House, 2013.
3. Green Chemistry Designing Chemistry for the Environment edited by Paul T. Anastas
& Tracy C. Williamson. Second Edition, (1998).
4. Green Chemistry Frontiers in benign chemical synthesis and processes- edited by Paul
T. Anastas & Tracy C. Williamson. Oxford University Press, (1998).
5. Green Chemistry Environment friendly alternatives- edited by Rashmi Sanghi & M. M.
Srivastava, Narora Publishing House, (2003).
For Units 4, 5 & 6

1. C.N.R. Rao, A. Muller, A.K. Cheetam (Eds), The Chemistry of Nanomaterials, Vol.1, 2,
54
Wiley VCH, Weinheim, 2004.

Page
2. C.P. Poole, Jr: F.J. Owens, Introduction to Nanotechnology Wiley Interscience, New Jersey,
2003
3. Kenneth J. Klabunde (Ed), Nanoscale materials in Chemistry, Wiley- Interscience, New York,
2001.
4. T. Pradeep, Nano: The Essentials in understanding nanoscience and nanotechnology, Tata
McGraw Hill, New Delhi, 2007.
5. H. Fujita (Ed.), Micromachines as tools in nanotechnology, Springer- Verlag, Berlin, 2003.
6. Bengt Nolting, Methods in modern biophysics, Springer-Verlarg, Berlin, First Indian Reprint,
2004. (Pages 102-146 for Unit II and 147 163 for Unit V)
7. H. Gleiter, Nanostructured Materials: Basic Concepts, Microstructure and Properties
8. W. Kain and B. Schwederski, Bioinorganic Chemistry: Inorganic Elements in the Chemistry
of Life, John-Wiley R Sons, New York.
9. T. Tang and p. Sheng (Eds), Nano Science and Technology Novel Structures and Phenomena,
Taylor & Francis, New York, 2004.
10. A. Nabok, Organic and Inorganic Nanostructures, Artech House, Boston, 2005.
11. Edward A. Rietman, Molecular engineering of Nanosystems, Springer- Verlag, New York,
2001.
12. Home page of Prof. Ned Seeman - http://seemanlab4.chem.nyu.edu/
13. Nano letters - http://pubs.acs.org/journals/nalefd/index.html Nanotation -
http://www.acsnanotation.org/
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M.Sc. CHEMISTRY (CSS PATTERN) - SEMESTER IV
CH4C12 INSTRUMENTAL METHODS OF ANALYSIS (4 Credits, 72 hrs)
Unit 1: Errors in Chemical Analysis (9hrs)

Treatment of analytical data, accuracy and precision, Absolute and relative errors, classification
and minimization of errors, significant figures, Statistical treatment- mean and standard
deviation, variance, confidence limits, student-t and f tests, detection of gross errors, rejection of
a result-Q test. Least square method, linear regression; covariance and correlation coefficient
Unit 2: Conventional Analytical Procedures (9hrs)

Gravimetry: solubility product and properties of precipitates-nucleation, growth and aging, co-
precipitation and post precipitation, drying and ignition. Inorganic precipitating agents: NH3,
H2S, H2SO4, (NH4)2MoO4 and NH4SCN.
Organic precipitating agents: oxine, cupron, cupferron, 1-nitroso-lnaphthol, dithiocarbamates,
Acid-Base and precipitation titrations: theory of neutralisation titrations, indicators for acid/base
titrations, titration curves of strong acid, strong base, weak acid, weak base and polyprotic acids.
Buffer solutions.
Titrations in nonaqueous media. Different solvents and their selection for a titration. Indicators
for non-aqueous titrations
Redox titrations: Permanganometry, dichcrometry, iodometry, cerimetry. Variation of potential
during a redox titration, formal potential during a redox titration, Redox indicators.
Precipitation titrations, adsorption indicators
Complexometric titrations: Types of EDTA titrations (direct, back, replacement, alkalimetric and
exchange reactions), masking and demasking agents, selective demasking, metal ion indicators -
murexide, eriochrome black T, Patton and Reeder's indicators, bromopyrogallol red, xylenol
orange, variamine blue.
Unit 3: Electro Analytical Methods- I (9hrs)

Potentiometry: techniques based on potential measurements, direct potentiometric systems,
different types of indicator electrodes, limitations of glass electrode, applications in pH
56
measurements, modern modifications, other types of ion selective electrodes, solid, liquid, gas
Page
sensing and specific types of electrodes, biomembrane, biological and biocatalytic electrodes as
biosensors, importance of selectivity coefficients. Polarography micro electrode and their
specialities, potential and current variations at the micro electrode systems, conventional
techniques for concentration determination, limitations of detection at lower concentrations,
techniques of improving detection limit-rapid scan, ac, pulse, differential pulse square wave
polarographic techniques. Applications of polarography.
Unit 4 Electro Analytical Methods II (9hrs)

Amperometry: biamperometry, amperometric titrations. Coulometry-primary and secondary
coulometry, advantages of coulometric titrations, applications. Principle of chronopotentiometry.
Anodic stripping voltammetry-different types of electrodes and improvements of lower detection
limits.Voltammetric sensors. Organic polarography.
Unit 5 Optical Methods - I (9 hrs)

Fundamental laws of spectrophotometry, nephelometry and turbidometry and fluorimetry. UV-
visible and IR spectrophotometry instrumentation, single and double beam instruments,
Spectrophotometric titrations. Atomic emission spectrometry excitation sources (flame, AC
and DC arc), spark, inductively coupled plasma, glue discharge, laser microprobes, flame
structure, instrumentation, and qualitative and quantitative analysis. Atomic absorption
spectrometry: sample atomization techniques, instrumentation, interferences, background
correction, and analytical applications.
Unit 6 Optical Methods - II (9 hrs)

Theory, instrumentation and applications of: - Atomic fluorescence spectrometry, X-ray
methods,: X-ray absorption and X-ray diffraction, photoelectron spectroscopy, Auger, ESCA.
SEM, TEM, AFM,
Unit 7: Thermal and Radiochemical Methods (9hrs)

Thermogravimetry(TG), Differential Thermal Analysis(DTA) and Differential Scanning
Calorimetry(DSC) and their instrumentation. Thermometric Titrations.
Measurement of alpha, beta, and gamma radiations, neutron activation analysis and its
applications.Principle and applications of isotope dilution methods.
57
Page
Unit 8: Chromatography (9 hrs)
Chromatography-classification-column-paper and thin layer chromatography. HPLC-outline study
of instrument modules. Ion exchange chromatography-Theory. Important applications of
chromatographic techniques. Gel Permeation Chromatography.
Gas chromatography basic instrumental set up-carriers, columns, detectors and comparative
study of TCD, FID, ECD and NPD. Qualitative and quantitative studies using GC, Preparation
of GC columns, selection of stationary phases of GLC, Gas adsorption chromatography,
applications, CHN analysis by GC
References:
01. J.M. Mermet, M. Otto, R. Kellner, Analytical Chemistry, Wiley-VCH, 2004.
02. D.A. Skoog, D.M. West, F.J. Holler, S.R. Crouch, Fundamentals of Analytical Chemistry,
9th Edn., Cengage Learning., 2014.
03. J.G. Dick, Analytical Chemistry, R.E. Krieger Pub.,1978.50
04. J.H. Kennedy, Analytical Chemistry: Principles, Saunders College Pub., 1990.
05. G.H. Jeffery, J. Bassett, J. Mendham, R.C. Denney, Vogel's Text Book of Quantitative
Chemical Analysis, 5th Edn., John Wiley& sons,1989.
06. C.L. Wilson, D.W. Wilson, Comprehensive Analytical Chemistry, Elsevier, 1982.
08. G.D. Christian, J.E. OReilly, Instrumental Analysis, Allyn & Bacon, 1986.
09. R.A. Day, A.L. Underwood, Quantitative Analysis, Prentice Hall, 1967.
10. A.I. Vogel, A Textbook of Practical Organic Chemistry, 5/e Pearson, 1989.
11. H.A. Laitinen, W.E. Harris, Chemical Analysis, McGraw Hill,1975.
12. V.K. Ahluwalia, Green Chemistry: Environmentally Benign Reactions, CRC, 2008.
13. F.W. Fifield, D. Kealey, Principles and Practice of Analytical Chemistry, Blackwell
Science, 2000. 58
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CH4C13- ADVANCED TOPICS IN CHEMISTRY (4Credits, 72hrs)
Unit 1: Chemistry of Nanomaterials (9hrs)

History of nanomaterials- Classification.Size- dependence of properties. Electronic structure
theory of metals and semiconductors. Quantum size effects.
Synthesis of nanostructures: bottom-up-approach, top- down approach, self-assembly,
lithography, molecular synthesis, template assisted synthesis.
Methods of characterization: Electron microscopies-SEM,TEM. Scaning prob microscopies-
STM, AFM. X-ray photoelectron spectroscopy(XPS), Dynamic light scattering(DLS), X-ray
diffraction(XRD).
Applications: Nanoelectronics, nanosensors, nanocatalysts, nanofilteration, diagnostic and
therapeutic applications and targeted drug delivery.
Introduction to graphenes and fullerenes.
Unit 2: Green Chemistry (9hrs)

Introduction, the need of green chemistry, principles of green chemistry, planning of green
synthesis, tools of green chemistry. Green reactions- Aldol condensation, Cannizaro reaction and
Grignard reaction.Comparison of the above green reactions with classical reactions.Green
preparations. Applications of phase transfer catalysis. Introduction to microwave organic
synthesis, Applications: environmental, solvents, time and energy benefits.
Unit 3: Introduction to Computational Quantum Chemistry (9hrs)

Electronic structure of molecules-Review of Hartee-Fock SCF method. Basis sets STOs and
GTOs . Nomenclature of Basis sets. Semi empirical and ab initio methods. Calculations using
Gaussian programme . Spesification of molecular geometry using a) Cartisian coordinates and
b) Internal coordinates. The Z-matrix . Z- matrices of some simple molecules like H2,H2o,
formaldehyde ammonia and methanol.
Unit 4: Supramolecular Chemistry (9hrs)

59
Concepts and language. Molecular recognition: Molecular receptors for different types of
Page
molecules, design and synthesis of coreceptors and multiple recognition. Strong, weak and very
weak Hydrogen bonds.Utilisation of H-bonds to create supramolecular structures. Use of H-
bonds in crystal engineering and molecular recognition.
Supramolecular reactivity and catalysis. Transport processes and carrier design.
Supramolecular devices. Supramolecular photochemistry, supramolecular electronic, ionic and
switching devices Some examples of self- assembly in supramolecular chemistry.
Unit 5: Medicinal Chemistry (9hrs)

Drug Design and Relationship of Functional Groups to Pharmacologic Activity: Introduction,
different classes of drugs, drug action, pro drugs, physico chemical properties of drugs and their
pharmacologic activity , SAR and QSAR , factors governing ability of drugs. Drug design,
factors governing drug design, rational approach to drug design, general methods of drug
synthesis.
Immunoassays: General principles, antigen -antibody interactions, Hapten inhibition test,
immunodiffusion, immunoelectrophoresis, ELISA, ELOSA, Fluorescence immunoassay and
Radio immunoassay. Biosensors and chemosensors (basic idea only).
Unit 6: Combinatorial Chemistry (9hrs)

Introduction. Combinatorial approach. Combinatorial libraries, technologies. Solid phase
synthesis, requirements-resins, Linkers. Reactants for solid phase synthesis. Methods of Parallel
synthesis: Haughton`s tea bag procedure. Automated parallel synthesis. Methods in mixed
combinatorial synthesis: general principles. Furkas mix and split combinatorial synthesis.
Structure determination of active compounds- Deconvolution. Methods in deconvolution-
recursive deconvolution, tagging use of decoded sheets. Planning and designing of combinatorial
synthesis. Spider like scaffolds, drug molecules. Limitations of combinatorial chemistry.
Unit 7: Introduction to Industrial Catalysis (9hrs)

Structure and chemical nature of surfaces. Physisorption and chemisorptions. Energy exchange at
surface. Determination of surface area and pore structure of catalysts - physical adsorption methods,
X-ray methods, mercury intrusion method, chemisorptions methods. Determination of surface
acidity-TPD method. Catalyst selectivity, effect of pore size on selectivity. Homogeneous and
heterogeneous catalysts. Preparative methods for heterogeneous catalysts- precipitation and co-
precipitaion methods, sol gel method, flame hydrolysis. Preparation of Zeolites and silica supports.
60
Mesoporous materials. Introduction to Phase transfer catalysis, biocatalysis, nanocatalysis and

Page
polymer supported catalysis. Application of heterogeneous catalysts in water gas shift reaction,
ammonia synthesis, catalytic cracking, Fisher-Tropsch process, threeway catalysis.
Unit 8: Renewable Energy Sources (9hrs)

World's reserve of commercial energy sources and their availability, various forms of energy,
Renewable and conventional energy systems, comparison - coal, oil and natural gas, availability,
applications, merits and demerits. Renewable energy sources - solar energy, nature of solar
radiation, components- solar heaters, solar cookers, water desalination. Photovoltaic generation
basics, merits and demerits of solar energy. i) Solid state junction solar cells:- principle of solar
cells, Fabrication of CdS/Cu2S and CdS/CuInSe2 solar cells, performance testing, stability and
efficiency consideration. Dye sensitized solar cells (DSSC)-Working principle, Fabrication of
DSSCs based on TiO2 and ZnO, stability and performance of dyes.
References:
1. C.P.Poole(Jr.) and F.J. Owens, Introduction to Nanotechnology,Wiley India, 2007.
2. G.A.Ozin and A.C.Arsenault, Nanochemistry, RSC Publishing,2008.
3. T.Pradeep, The essentials of Nanotechnology, Tata McGra Hill, New Delhi, 2007.
4. K.J.Klabunde(Ed.), Nanoscale Materials in Chemistry, John Wiley&Sons, 2001.
5. P.T.Anastas and J.C.Warner, Green Chemistry:Theory and Practice, Oxford University
Press, 1998.
6. James Clark and Duncan Macquarrie, Hand Book of Green Chemistry and Technology,
Blackwell Science, 2002.
7. J.H.Clark,The Chemistry of waste minimization, Blackie Academic, London,1995.
8. C.J.Cramer, Essentials of computational Chemistry:Theories and models, John Wiley &
Sons,2002.
9. Frank Jensen, Introduction to Computational Chemistry, John Wiley & Sons,1999.
10. Errol G Lewars Computational Chemistry: Introduction to the theory and applications of
molecular quantum mechanics, Springer,2001.
11. David Young, Computational Chemistry, Wiley Interscience, 2001.
12. F. Vogtle, Supramolecular Chemistry, John Wiley & Sons, Chichester, 1991.
13. J.M.Lehn, Supramolecular Chemistry, VCH.
14. Lemke, Williams, Roche and Zito, Principles of Medicinal Chemistry, 7/e, Wolters Kluwer,
61
2012.
Page
15. G.Thomas, Fundamentals of Medicinal Chemistry, Wiley.

16. G.Gringauz, Introduction to Medical Chemistry, Wiley-VCH, 1997.
17. Harkishan Singh and V.K.Kapoor, Medicinal and Pharmaceutical Chemistry, Vallabh
Prakashan, 2008.
18. W.Bannwarth and B.Hinzen, Combinatorial Chemistry-From Theory to Application, 2nd
Edition, Wiley-VCH, 2006.
19. A.W.Czarnik and S.H.DeWitt, A Practical Guide to Combinatorial Chemistry, 1st Edition,
American Chemical Society, 1997.
20. A. W. Adamson and A. P. Gast, Physical Chemistry of Surfaces, 6 Edn., Wiley, 2011.
21. Jens Hajen, Industrial Catalysis: A Practical Approach. 2nd Edn., Wiley VCH, 2006.
22. Dipak Kumar Chakrabarty, Adsorption and Catalysis by Solids, New Age. 2007.
23. C.H. Bartholomew and R.J. Farrauto, Fundamentals of Industrial Catalysis Process, 2nd Edn.
Wiley & Sons Inc. 2006.
24. Woodruff, D. P. and Delchar T. A., Modern Techniques of Surface Science, Cambridge Solid
State Science Series, 1994.
25. Kurt K. Kolasinski, Surface Science: Foundations of Catalysis and Nanoscience, 3rd Edn.,
Wiley U. K., 2012.
26. Bansal N K, Kleeman M and Mells M, Renewable Energy Sources and Conversion
Technology, Tata McGraw-Hill. (1990)
27. Kothari D.P., Renewable energy resources and emerging technologies, Prentice Hall of
India Pvt. Ltd., 2008.
28. Rai G.D, "Non-Conventional energy Sources", Khanna Publishers, 2000.
29. Michael Grtzel, J. Photochemistry and Photobiology C: Photochemistry Reviews 4 (2003)
145153, Solar Energy Conversion by Dye-Sensitized Photovoltaic Cells, Inorg. Chem., Vol.
44, No. 20, 2005 6841-6851.
30. Yoshihiro Hamakawa, Thin-Film Solar Cells-Next Generation Photovoltaics and Its
Applications, Springer Series in Photonics 13, 2004.
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CH4EO4 - PETROCHEMICALS AND COSMETICS (ELECTIVE) (4Credits, 72hrs)
Unit 1: Introduction to Petrochemistry (9hrs)

Introduction Petroleum Refining of crude oil Fuels for internal combustion engines.
Knocking, Octane number. Unleaded petrol. Diesel Engine and Cetane number. Cracking
Thermal, Catalytic. Mechanism of cracking process. Reforming Activation Gasoline.
Petrochemicals.
Unit 2: Hydrocarbons from Petroleum (9hrs)

Introduction. Raw materials. Saturated hydrocarbons from natural gas. Uses of saturated
hydrocarbons. Unsaturated hydrocarbons Acetylene, Ethylene, Propylene, Butylenes. Aromatic
hydrocarbons - Benzene. Toluene. Xylenes. Chemical processing of paraffin hydrocarbons.
Chemical processing of ethylene hydrocarbons. Chemical processing of acetylene. Chemical
processing of aromatic hydrocarbons.
Unit 3: Industrial Organic Synthesis (9hrs)

Introduction. The raw materials and basic processes. Chemical process used in industrial organic
synthesis. Petrochemicals- Methanol. Important points. Ethanol. Important points. Rectified spirit
from beer. Methylated spirit. Proof spirit. Preparation of the absolute alcohol from rectified spirit.
Acetaldehyde. Acetic acid. Isopropanol. Ethylene glycol. Glycerine. Acetone. Phenol.
Formaldehyde. Important points. Ethyl acetate. Important points.
Unit 4: Composition of Petroleum Crude (9hrs)

Composition of petroleum crude. Composition of the petroleum products. Isomeric compounds.
Classification of petroleum crude. A survey of the world crude. Sulphur compounds in petroleum.
Physical Properties and Test Methods
1. Viscosity: Other methods for finding out viscosity. Viscosity of an oil blend. Use of the
figure for finding out viscosity. Viscosities of hydrocarbons. 2. Density, 3. Surface and
63
interfacial tensions. 4. Refractive Index. 5. Flash and fire points. 6. Cloud and pour points.
Page
7. Aniline point. 8. Diesel index. 9. Cetane number. 10. Octane number and knock
characteristics. 11. Distillation curves. (a) ASTM (American Society for Testing Materials)
distillation curve. (b). Hempel or semi fractionating distillation curve.
Unit 5: Distillation of Crude Petroleum (9hrs)

Preparation of petroleum for processing. Destruction of petroleum emulsion. Electric desalting
plants. Fundamentals of preliminary distillation. Methods of petroleum distillation. Distillation of
crude petroleum. Treatment of the residual liquid processing of liquid fuels such as petroleum and
petroleum products. Petroleum processing equipments. Storage tanks. Rectification columns. Cap
tray or bubble tray columns. Heat exchange apparatus. Steam space heaters or boilers. Condensers.
Pipe furnaces. Pipelines. Fitting Compressors and pumps.
Unit 6: Petroleum Products (9hrs)

Introduction. Classification of petroleum products. Liquefied hydrocarbons, gases and fuels. Fuel
oils or boiler oils. Fuel for Jet engines and gas turbine engines. Lubricants, products of oil paraffine
processing and other petroleum products. Lubricating and other oils. Paraffins, ceresins, petroleum.
Miscellaneous petroleum products. Products of petrochemical and basic organic synthesis. Dye
intermediates. Lacquers. Solvents. Thinners.
Unit 7: Purification of Petroleum Products (9hrs)

Absorptive and adsorptive purification. Sulphuric acid purification. Alkaline purification.
Hydrorefining. Purification in a DC electric field. New methods of purification. De
mercaptanisation. Stabilisation.
Unit 8: Perfumes and Cosmetics (9hrs)

Perfumes: Introduction. Esters. Alcohols. Ketones. Ionones. Nitromusks. Aldehydes. Diphenyl
compounds. Production of natural perfumes. Flower perfume. Fruit flavours. Artificial flavours.
Cosmetics: Introduction. Toothpaste. Ingradients. Preparation. Recipe for toothpaste. Shampoos.
Ingradients. Recipe. Hair dyeing. Materials used. Colour and Curl of Hair. Creams and Lotions.
Skin Chemicals. Their ingradients. Preparation and recipe. Lipsticks. Ingradients. Preparation and
recipe. Perfumes, Colognes and after shave preparation.
Compounds with flowery and fruity odours used in perfumes with their structures. Compounds with
unpleasant odours used to fix delicate odours in perfumes. Deodorants and Antiperspirants.
64
Cosmetics: Economics and Advertising.

Page
References:
1. B. K. Sharma, Industrial Chemistry, Goel Publication, Goa.
2. N. K. Sinha, Petroleum Refining and petrochemicals,
3. John W. Hill, Chemistry for Changing times, Surjeet Publication
4. Uttam Ray Chaudhuri, Fundamentals of Petroleum and Petrochemical Engineering,
, Boca Raton London New York.
5. S ukumar Maiti, Introduction To Petrochemicals India Book House Pvt Ltd.
6. Gabriella Baki, Kenneth S. Alexander, Introduction to Cosmetic Formulation and
Technology, Wiley.
7. Tony Curtis, David Williams, Introduction to Perfumery, Micelle Press; 2nd edition
65
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CH4EO5 - INDUSTRIAL CATALYSIS (ELECTIVE) (4 Credits, 72hrs)
Unit 1: Introduction to Adsorption process (9hrs)

Intermolecular interactions, physisorption the forces of adsorption dispersion and repulsive
forces classical electrostatic interactions adsorbate-adsorbate interactions, chemisorption,
potential energy curves, thermodynamics of adsorption isothermal and adiabatic heats of
adsorption variation of heats of adsorption with coverage, adsorption isotherms, Langmuir,
BET and Freundlich, kinetics of chemisorption activated and non-activated chemisorption
absolute rate theory electronic theories, hysteresis and shapes of capillaries.
Unit 2: Kinetics and Catalysis (9hrs)

Adsorption and catalysis adsorption and reaction rate strength of adsorption bond and
catalysis adsorption equilibrium and catalysis, kinetics of heterogeneous catalysis: diffusion
steps neglected unimolecular reactions bimolecular reactions Langmuir-Hinshelwood and
Eley-Rideal mechanism, kinetics of heterogeneous catalysis: diffusion controlling mechanism
of diffusion diffusion and reaction in pores selectivity and diffusion, electronic factors in
catalysis by metals, electronic factors in catalysis by semiconductors, geometric factors and
catalysis.
References:
1. A. Clark, Theory of adsorption and catalysis, Academic Press, 1970.
2. J.M. Thomas & W.J. Thomas, Introduction to principles of heterogeneous catalysis,
Academic Press, New York, 1967.
3. R.H.P. Gasser, An introduction to chemisorption and catalysis by metals, Oxford, 1985.
4. D.K Chakraborthy, Adsorption and catalysis by solids, Wiley Eastern Ltd. 1990.
Unit 3: Catalyst - Praparative Methods(9hrs)

Surface area and porosity measurement measurement of acidity of surfaces; Support materials
preparation and structure of supports surface properties, preparation of catalysts
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introduction of precursor compound pre-activation treatment activation process. General

Page
methods of synthesis of zeolites, mechanism of nuclear formation and crystal growth, structures
of some selected zeolites zeolites A, X and Y, pentasils ZSM-5, ZSM-11, shape selective
catalysis by zeolites.
Unit 4: Deactivation of Catalysts (9hrs)

Deactivation of catalysts, classification of catalyst deactivation processes, poisoning of catalysts,
coke formation on catalysts, metal deposition on catalysts, sintering of catalysts, Regeneration of
deactivated catalysts, feasibility of regeneration, description of coke deposit and kinetics of
regeneration.
References:
1. J.R. Anderson and M. Boudart (Eds), Catalysis, Science and Technology, Vol 6, Springer-
Verlag, Berlin Heildberg, 1984.
2. R.B. Anderson, Experimental methods in catalysis research, Vol I, II, Academic press,
NY, 1981.
3. R. Szostak, Molecular sieves: principles of synthesis and identification, Van Nostrand, NY,
1989.
4. R. Hughes, Deactivation of catalysts, Academic press, London, 1984.
UNIT 5: Phase Transfer Catalysis (9hrs)

Basic concepts in phase transfer catalysis phase transfer catalyzed reactions basic steps of phase
transfer catalysis effect of reaction variables on transfer and intrinsic rates outline of compounds
used as phase transfer catalysts. Use of quaternary salts macrocyclic and macrobicyclic ligands
PEGs and related compounds use of dual phase transfer catalyst or co-catalyst in phase transfer
systems separation and recovery of phase transfer catalysts. Insoluble phase transfer catalysts.
UNIT 6: Biocatalysis (9hrs)

Enzymes an introduction to enzymes enzymes as proteins classification and nomenclature
of enzymes structure of enzymes how enzymes work effect on reaction rate
thermodynamic definitions catalytic power and specificity of enzymes optimization of weak
interactions between enzyme and substrate in the transition state binding energy, reaction
specificity and catalysis specific catalytic groups contributing to catalysis. Immobilized
biocatalysts definition and classification of immobilized biocatalysts immobilization of
67
coenzymes.
Page
References:
1. C.M. Starks, C.L. Liotta And M. Halpern, Phase Transfer Catalysis Fundamentals,
Applications And Industrial Perspectives, Chapman & Hall, New York, 1994.
2. A.L. Lehninger, Principles of Biochemistry, Worth Publishers, USA, 1987.
UNIT 7: Industrial Catalysis-1 (9hrs)

Oil based chemistry; catalytic reforming; catalytic cracking; paraffin cracking; naphthenic
cracking; aromatic hydrocarbon cracking; isomerization; hydrotreatment; hydrodesulphurization;
hydrocracking; steam cracking; hydrocarbons from synthesis gas; Fisher-Tropsch process, Mobil
process for conversion of methanol to gasoline hydrocarbons. Catalysis for environmental
protection, removal of pollutants from exhausts, mobile and static sources.
UNIT 8: Industrial Catalysis-II (9hrs)

Hydroformylation of olefins, carbonylation of organic substrates, conversion of methanol to
acetic acid, synthesis of vinyl acetate and acetic anhydride, palladium catalyzed oxidation of
ethylene, acrylonitrile synthesis, Zeigler-Natta catalysts for olefin polymerization. Propene
polymerization with silica supported metallocene/MAO catalysts.
References:
1. G. Ertl, H. Knozinger and J. Weitkamp, Handbook of Heterogeneous Catalysis Vol 1-5,
Wiley-VCH, Weinheim, 1997.
2. R.J. Farrauto and C.H. Bartholomew, Fundamentals of Industrial Catalytic Processes,
Blackie Academic and Professional Chapman and Hall, 1997.
3. R. Pearce and W.R. Patterson, Catalysis and chemical processes, Academic press, Leonard
Hill, London, 1981. 68
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CH4EO6 - NATURAL PRODUCTS & POLYMER CHEMISTRY (4 Credits, 72 hrs)
UNIT 1: Basic aspects of Natural Products (9 hrs)

Classification of Natural Products: Classification of Natural products based on chemical structure,
physiological activity, taxonomy and Biogenesis. Carbohydrates, Terpenoids, Carotenoids, alkaloids,
steroids, anthocyanins etc. Methods of isolation of each class of compound
Essential Oils:Isolation and study ofimportant constituents of lemon grass oil, citronella oil, cinnamon
oil, palmarosa oil, turpentine oil, clove oil, sandalwood oil, Essential oils of turmeric and ginger.
Oleoresins of pepper, chilly, ginger and turmeric. Aromatherapy.
UNIT 2: Terpenoids and Steroids (9 hrs)

Terpenoids: classification, structure elucidation and synthesis of abietic acid.
Steroids : Classification, structure of cholesterol, conversion of cholesterol to progesterone,
androsterone and testosterone.Classification, structure and synthesis of prostaglandins, biosynthesis of
fatty acids, prostaglandins, terpenoids and steroids.
Steroids:Classification and structure elucidation of Cholesterol, Ergosterol, Oesterone,Androsterone,
Testosterone, Progestrone, Cortisone and Corticosterone.
UNIT 3: Alkaloids and Anthocyanins (9 hrs)

Alkaloids classification of alkaloids, structure elucidation based on degradative reactions (quinine
and atropine). Biosynthesis of quinine and papaverine.
Anthocyanins: Introduction, General Nature and Structure of Anthocyanidins. Flavone, Flavonol,
Isoflavone and Chalcone
UNIT 4: Dyes, Pigments and Supramolecules (9 hrs)

Brief introduction to dyes and pigments (natural and synthetic): -carotene, indigo, cyclic tetrapyrroles
(porphyrins, chlorins, chlorophyll, heme), study of phthalocyanines, squarenes, cyanine dyes
Introduction to Supramolecular chemistry and Molecular Recognition
69
References:
Page

2. F. A. Carey and R. J. Sundberg: Advanced Organic Chemistry (part B), 3rd ed., Plenum Press.
3. T.W. G. Solomons: Fundamentals of Organic Chemistry, 5th ed., John Wiley
4. H. O. House: Modern Synthetic Reactions, W. A. Benjamin
5. W. Carruthers: Some Modern Methods of Organic Synthesis, 4/e, CambridgeUniversity Press.
6. I. L. Finar: Organic Chemistry Volumes 1 (6th ed.) and 2 (5th ed.), Pearson.
7. J. Clayden, N. Green, S. Warren and P. Wothers: Organic Chemistry, 2/e, OxfordUniversity Press
8. N. R. Krishnaswamy: Chemistry of Natural Products; A Unified Approach, Universities Press
9. R. J. Simmonds: Chemistry of Biomolecules: An Introduction, RSC
10. R. O. C. Norman: Principles of Organic Synthesis, 3nd ed., CRC Press, 1998.
11. J. M. Lehn, Supramolecular Chemistry
UNIT 5: Polymerization Processes (9 hrs)

Polymerization processes. Free radical addition polymerization. Kinetics and mechanism. Chain
transfer. Mayo-walling equation of the steady state. Molecular weight distribution and molecular
weight control. Radical Atom Transfer and Fragmentation Addition mechanism. Free radical living
polymers. Cationic and anionic polymerization. Kinetics and mechanism, Polymerization without
termination. Living polymers. Step Growth polymerization. Kinetics and mechanism. Molecular
weight distribution. Linear Vs cyclic polymerization, other modes of polymerization. Group Transfer,
metathesis and ring opening polymerization. Copolymerization. The copolymerization equation, Q-e
scheme, Gelation and Crosslinking. Copolymer composition drift Polymerization techniques. Bulk
Solution, melt, suspension, emulsion and dispersion techniques
.
UNIT 6: Characterization and Stereochemistry of Polymers (9 hrs)
Polymer Stereochemistry. Organizational features of polymer chains. Configuration and conformation,

Tacticity, Repeating units with more than one asymmetric center. Chiral polymers main chain and
side chain. Stereoregular polymers. Manipulation of polymerization processes. Zeigler-Natta and
Kaminsky routes. Coordination polymerization. Metallocene and Metal oxide catalysts.
Polymer Characterization. Molecular weights. Concept of average molecular weights, Molecular
weight distribution. Methods for determining molecular weights. Static and dynamic methods, Light
scattering and GPC. Crystalline and amorphous states. Glassy and Rubbery States. Glass transition
and crystalline melting. Spherullites and Lammellac. Degree of Crystallinity, X-ray diffraction,
70
Page
UNIT 7: Polymer Solutions, Industrial polymers and Copolymers (9 hrs)
Polymer Solutions. Treatment of dilute solution data. Thermodynamics. Flory-Huggins equation.
Chain dimension-chain stiffness End-to-end distance. Conformation-random coil, Solvation and
Swelling. Flory-Reiner equation. Determination of degree of crosslinking and molecular weight
between crosslinks.
Industrial polymers. Synthesis, Structure and applications. Polyethylene, polypropylene, polystyrene.
Homo and Copolymers. Diene rubbers. Vinyl and acrylic polymers. PVC, PVA, PAN, PA. PMMA
and related polymers.
Copolymers. EVA polymers. Flourine containing polymers. Polyacetals. Reaction polymers.
Polyamides, polyesters. Epoxides, polyurethanes, polycarbonates, phenolics, PEEK, Silicone polymers.
UNIT 8: Speciality Polymers (9 hrs)

Reactions of polymers. Polymers as aids in Organic Synthesis. Polymeric Reagents, Catalysts,
Substrates, Liquid Crystalline polymers. Main chain and side chain liquid crystalline polymers. Phase
morphology. Conducting polymers. Polymers with high bandwidth. Polyanilines, polypyrrols,
polythiophines, poly(vinylene phenylene). Photoresponsive and photorefractive polymers. Polymers in
optical lithography. Polymer photoresists. Electrical properties of Polymers, Polymers with NLO
properties, second and third harmonic generation, wave guide devises.
References:
1. F.W. Billmayer. Textbook of Polymer Science. 3rd Edn, Wiley. N.Y. 1991.
2. G. Odiyan, Principles of Polymerisation, 4/e, Wiley, 2004.
4. J.M.G Cowie. Polymers: Physics and Chemistry of Modern Materials. Blackie. London, 1992.
5. R.J.Young, Principles of Polymer Science, 3rd Edn. , Chapman and Hall. N.Y. 1991.
6. P.J. Flory. A Text Book of Polymer Science. Cornell University Press. Ithacka, 1953.
7. F. Ullrich, Industrial Polymers, Kluwer, N.Y. 1993.
8. H.G.Elias, Macromolecules, Vol. I & II, Academic, N.Y. 1991.
71
Page
CH4EO7 - MATERIAL SCIENCE (ELECTIVE) (4 credits, 72hrs)
Unit 1: Introduction to Material Science (9hrs)

Introduction, classification of materials, functional classification, classification based on
structure, environmental and other effects, material design and selection;
Mechanical properties significance and terminology, the tensile test, true stress and true strain,
bend test, hardness of materials.
Unit 2: Ceramic Materials (9hrs)

Definition of ceramics, traditional and new ceramics, structure of ceramics, atomic interactions a
nd types of bonds, phase equilibria in ceramic systems, one component and multi component
systems, use of phase diagrams in predicting material behaviour, electrical, magnetic, and optical
properties of ceramic materials.
Unit 3: Nanomaterials and Nanotechnology (9hrs)

Nanomaterials, nanostructures, self-assembly, Nanoparticles- methods of synthesis, sol-gel
process, hydrolysis of salts and alkoxides, precipitation, condensation reactions, electrokinetic
potential and peptization reactions; Gelatin network- xerogels, aerogels, drying of gels; Chemical
modifications of nanosurfaces, applications of sol-gel process, sol-gel coating, porous solids,
catalysts, dispersions and powders
Unit 4: Materials for Special Purposes I (9hrs)

Production of ultra pure materials - zone refining, vacuum distillation and electro refining;
Ferroelectric and piezoelectric materials - general properties, classification of ferroelectric
materials, theory of ferroelectricity, ferroelectric domains, applications, piezoelectric materials
and applications; Metallic glasses - preparation, properties and applications.
Unit 5: Materials for Special Purposes II (9hrs)

Magnetic materials, ferri and ferro magnetism, metallic magnets, soft, hard & superconducting
72
magnets; Ceramic magnets, low conducting and superconducting magnets; Superconducting

Page
materials - metallic and ceramic superconducting materials, theories of superconductivity,

Meissner effect; High temperature superconductors - structure and applications.
Unit 6: Some Special Polymers (9hrs)

Functional polymers - photoconductive, electroconductive, piezoelectric and light sensitive
polymers; Industrial polymers - production, properties, & compounding of industrial polymers;
Commodity plastics such as PP, PE, PVC, & PS ; Engineering plastics such as polyacetyl,
polyamide (nylon 6 and nylon 66), polyacrylate, polycarbonate, polyester (PET, PBT), polyether
ketones; Thermosetting plastics such as PF, UF & MF.
Unit 7: Composite Materials (9hrs)

Definition and classification of composites, fibres and matrices; Composites with metallic
matrices processing, solid and liquid state processing, deposition;
Ceramic matrix composite materials processing, mixing & Pressing, liquid state processing, sol
-gel processing & vapor deposition technique; Interfaces in composites - mechanical &
microstructural characteristics; Applications of composites.
Unit 8: Fracture Mechanics (9hrs)

Importance of fracture mechanics, micro structural features of fracture in metals, ceramics,
glasses & composites , Weibull statistics for failure, strength analysis; Fatigue, application of
fatigue testing - creep, stress rupture & stress behavior, evaluation of creep behavior.
References:
1. W.D. Eingery, H.K. Dowen and R.D. Uhlman, Introduction to Ceramics, John Wiley.
2. A.G. Guy, Essentials of Material Science, McGraw Hill.
3. M.J. Starfield and Shrager, Introductory Material Science, McGraw Hill.
4. S.K. Hajra Choudhary, Material Science and Engineering, Indian Book Dist. Co., Calcutta.
5. M.W. Barsoum, Fundamentals of Ceramics, McGraw Hill, 1997.
6. M. Tinkham, Introduction to Superconductivity, McGraw Hill, 1975.
7. A.V. Narlikar and S.N.Edbote, Superconductivity and Superconducting Materials, South
Asian Publishers, New Delhi, 1983.
8. S.V. Subramanyan and E.S. Rajagopal, High Temperature Superconductors, Wiley Eastern
Ltd., 1988.
73
9. Azaroff and Brophy, Electronic Processes in Materials, McGraw Hill, 1985.

Page
10. C.M. Srivastava and C. Srinivasan, Science of Engineering Materials, Wiley Eastern Ltd.,
1987.
11. R.J. Young, Introduction to Polymer Science, John Wiley and Sons.
13. H. Ulrich, Introduction to Industrial Polymers, Hansen Publishers, 1982.
14. F.R. Jones, Handbook of Polymer Fibre Composites, Longman Scientific and Tech.
15. K.K. Chowla, Composite Materials, Springer-Verlag, NY, 1987.
74
Page
M.Sc. CHEMISTRY SEMESTER III & IV
CH3PO7 & CH4P10 INORGANIC CHEMISTRY PRACTICALS III & IV (4 Credits)
Unit 1: Estimation of ions in mixture

Estimation involving quantitative separation of suitable binary mixtures of ions in solution (Cu2+,
Nl2+, Zn2+, Fe3+, Ca2+, Mg2+, Ba2+ and Cr2O12-) by volumetric colorimetric or gravimetric methods
only one of the components to be estimated.
Unit 2: Colorimetric Estimations

Colorimetric estimations of Ni, Cu, Fe and Mo, after separation from other ions in solution by
solvent extraction. (Minimum two expts.)
Unit 3: Ion Exchange Methods

Ion- exchange separation and estimation of binary mixtures (Co 2+ & Ni2+, Zn2+ & Mg2+. Hardness
of water).
Unit 4: Preparation of Inorganic Complexes. (5 Nos)
References:
1. Vogels Text Book of Qualitative Inorganic Analysis.

2. I.M. Kolthoff and E.A. Sanderson, Quantitative Chemical Analysis.
3. D.A. Adams and J.B. Rayner, Advanced Practical Inorganic Chemistry.
4. W.G.Palmer, Experimental Inorganic Chemistry.
5. G. Brauer, Hand book of Preparative Inorganic Chemistry.
75
Page
CH3PO8 & CH4P11 ORGANIC CHEMISTRY PRACTICALS III & IV (4 Credits)
Unit 1: Quantitative Organic Analysis

Estimation of equivalent weight of acids by Silver Salt method, Estimation of nitrogen by Kjeldahl
method, Determination of Acid value, iodine value and saponification value of oils and fats (at
least one each), Estimation of reducing sugars, Estimation of amino group, phenolic group and
esters. Colourimetric estimations: Vitamins (Ascorbic acid), Drugs sulpha drug (Sulpha diazine,
sulphaguanidine), Antibiotics Pencillin, Stroptomycin.
References:
1. B.S. Furnis, A.J. Hannaford, P.W.G. Smith and A.R. Tatchell, Vogel's Textbook of Practical
Organic Chemistry, ELBS/Longman, 1989.
2. Beebet, Pharmacuetical Analysis.
Unit 2: Extractions
Extraction of Natural products and purification by column chromatography and TLC Caffeine
from Tea waste, Chlorophill Steroids, Flavonoid (Soxhlet extraction), citral from lemon grass
(steam distillation). Casein from milk.
Unit 3: Chromatograhy
Practical application of PC and TLC, Preparation of TLC plates, Activation, Identification of the
following classes of compounds using one- and two-dimensional techniques. Identification by using
spray reagents and co-chromatography by authentic samples and also from Rf values.
Food additives and Dyes, Artificial sweeteners: Saccharine, cyclamates, Dulcin. Flavour
adulterants piperonal, Benzalacetate, ethyl acetate antioxidants: Butylated hydroxytoluene (BHT)
Butylated hydroxy anisole (BHA), Hydroquinone.
Food colours: Permitted Amaranth, Erythrosine, Tatrazine, susnet yellow, Fast green, Brilliant
Blue, Nonpermitted colours: Auramine, Congo red, Malachite green, Metanil yellow, Orange II,
Sudan II, Congo red.
76
Amino acids (Protein hydrolysates), Sugars, Terpinoids, Alkaloids, Flavonoids, Steroids.

Page
Pesticides and herbicides: Oragonochlorine pesticides organo phosphates and carbamate pesticides,
Herbicides.
Plant growth stimulants: Indole acetic acid.
References:
1. B.S. Furnis, A.J. Hannaford, P.W.G. Smith and A.R. Tatchell, Vogel's Textbook of Practical
Organic Chemistry, 5/e, Pearson, 1989.
2. Beebet, Pharmacuetical Analysis
3. E. Hoftmann, Chromatography, non Nostrand Reinhold Company, New York, 1975.
4. J. Sherma and G. Zwig, TLC and LC analysis of pesticides of international importance, Vol.
VI & VII, Academic Press.
5. H. Wagner, S. Bladt, E.M. Zgainsti Tram, Th. A. Scott., Plant Drug Analysis, Springer-
Verlag, Tokyo, 1984.
6. Vishnoi, Practical Organic Chemistry.
77
Page
CH3PO9 & CH4P12 PHYSICAL CHEMISTRY PRACTICALS III & IV (4 Credits)
SECTION A
Unit 1: Chemical Kinetics (4 experiments)
1. Determination of specific reaction rate of acid hydrolysis of an ester (methyl acetate or ethyl
acetate) and concentration of the given acids.
2. Determination of Arrhenius parameters of acid hydrolysis of an
3. Determination of specific reaction rate of saponification of ethyl
4. Iodination of acetone in acid medium Determination of order of reaction with respect of
iodine and acetone.
Unit 2: Adsorption (3 experiments)

1. Verification of Langmuir adsorption isotherm charcoal-acetic acid system.
Determination of the concentration of a given acetic acid solution using the isotherm
2. Verification of Langmuir adsorption isothem charcoal-oxalic acid system.
Determination of the concentration of a given acetic acid solution using the isothem.
3. Determination of surface area of adsorbent.
Unit 3: Phase Equilibria (2 experiments)

1. (a) Determination of phase diagram of a ternary liquid system (e .g.,chloroform acetic acid
water Benzene acetic acid water)
(b) Determination of the composition of a binary liquid mixture (e.g., chloroform-acetic acid,
benzene-acetic acid)
2. (a) Determination of mutual miscibility curve of a binary li quid system (e.g., phenol water)
and critical solution temperature (CST).
(b) Effect of impurities (e.g, NaCl, KCl, succinic acid, salicylic acid) on the CST of water-phenol
system
(c) Effect of a given impurity (e.g., KCl) on the CST of water phenol system and
78
determination of the concentration of the given solution of

Page
Unit 4: Cryoscopy Beckman Thermometer Method (3 experiments)
1. Determination of cyroscopic constant of a liquid (water, benzene)
2. Determination of molecular mass of a soute (urea, glucose, cane sugar,mannitol) by studying
the depression in freezing point of a liquid solvent (water, benzene)
3. Determination of Van't Hoff factor and percentage of dissociation of NaCl.
4. Study of the reaction 2Kl + Hgl 2 .K2Hgl4 and determination of the concentration of the given
Kl solution.
Unit 5: Polarimetry ( 3 experiments)

1. Determination of specific and molar optical rotations of glucose, fructose and sucrose.
2. Determination of specific rate of inversion of cane sugar in presence of HCl.
3. Determination of concentration of HCl
Unit 6: Spectrophotometry (3 experiments)

1. Determination of equilibrium constants of acid -base indicators.
2. Simultaneous of determination Mn and Cr in a solution of KMnO4 and K2Cr2O7
3. Investigation of complex formation between Fe (III) and thiocyanate.
References:
1. A. Finlay and J.A. Kitchener, Practical Physical Chemistry, Longman.

2. F. Daniels and J.H. Mathews, Experimental Physical Chemistry, Longman.
3. A.H. James, Practical Physical Chemistry , J.A. Churchil Ltd., 1961.
4. H.H. Willard, L.L. Merit and J.A. Dean, Instrumental Methods of Analysis, 4th Education,
Affiliated East-West Press Pvt. Ltd., 1965.
5. D.P. Shoemaker and C.W. Garland, Experimental Physical Chemistry, McGraw Hill.
6. J.B. Yadav, Advanced Practical Physical Chemistry, Goel Publications, 1989.
SECTION B
Use of Computational Chemistry softwares like pc GAMESS (firefly), Gaussian etc., to calculate
molecular parameters.
79
Ref: http://classic.chem.msu.su/gran/gamess/index.html
Page
FIRST SEMESTER M. Sc. DEGREE EXAMINATION
(CSS)
Chemistry
CH1CO1 - QUANTUM CHEMISTRY AND GROUP THEORY
(2015 Admissions)
Time: 3 hours Maximum: 36 weightage
Section A
(Answer all questions. Each question has 1 weightage)
1 Define well behaved wave function.
2 What do you mean by square integrable nature of the wave function
3 Find the commutator of x and d/dx
4 Write recursion formula. Explain its significance.
5 Express Lz in cartesian and spherical polar co-ordinates.
6 Define spherical harmonics. Write one example.
7 List out all the symmetry elements and operations associated with a Td molecule.
8 Explain with example degenerate and Non degenerate representation.
9 Define abelian and group and class.
10 Generate matrices for C6 and S6
11 In the C3v point group all the three reflection planes are in the same class. Why?
12 State and explain the rearrangement theorum.
(12 1 = 12 weightage)
Section B
(Answer any 8 questions. Each question carries 2 weightage)
13 Define Hermitian operator. Show that Kinetic energy operator is hermitian.
14 Write Hamiltonian operator. Show that is a hermitian operator
15 Define spherical harmonics. Draw the polar plots for one of the spherical harmonics function
and discuss.
16 For a rigid rotator L2 and Hamiltonian operator have the same set of eigen functions. Justify
your answer.
17 An electron confined to a cubical box of length 20 A0 . Calculate the energy level spacing
80
between (110) and (200) electron mass in 9.1 * 10-31 kg.

Page
18 Find the commutator of Lx and Ly. (L= angular momentum operator)

19 Show that the 4 symmetry operations in the C2v point group form a mathematical group under
multiplication
20 List the symmetry operations associated with D4h point group and classify them into different
classes. Justify your answer.
21 Set up the group multiplication table for C3v point group.
22 State Great orthogonality theorem. What are the consequence of the theorem?
23 Derive C4v character table.
24 Find out E E using the C3v character table
C3v E 2C3 3v
A1 1 1 1
A2 1 1 -1
E 2 -1 0
Section C
25 Using Great Orthogonality theorem derive the C3v character table
26 Apply Schrodinger equation for 1 D simple harmonic oscillator. Find the eigen functions and
Eigen values.
27 Apply Schrodinger equation for H atom. Transform it into spherical polar co-ordinates and
separate the variables. And solve for phi equation.
28 Prove that a) Eigen values of hermitian operators are real and b) Eigen functions of hermitian
operators corresponding to two different eigen values are orthogonal
(2 x 4 = 8 weightage)
81
Page
(CSS)
Chemistry
CH1CO2- ELEMENTARY INORGANIC CHEMISTRY
(2015 Admissions)
Section A
1. Name the molecule which is isoelectronic with NH4+ and BF4 -.
2. What is the name of correlation diagram represents energy of molecular orbitals with
change in bond angle?
3. Arrange the following in the increasing order of acidity H2O, H2Se, H2S, H2Te
4. Give one example for aprotic solvent
5. To which class of compounds the polyhedral skeletal electron pair theory applicable.
6. Which allotropic form of phosphorous is an insulator?
7. What are phosphazenes?
8. What is zeolite?
9. What are the hydrolysis products of uranyl ion in aqueous solution?
10. The contraction between consecutive actinide ions is greater than in the case of
lanthanide ions. Why?
11. What is Dosimetry?
12. Give one example for photo nuclear reactions.
Section B
13. What is Bent rule of hybridization? Explain.
14. Explain electroneutrality principle with example.
15. Explain Bronsted-Lowry concept of acids and bases.
16. Write down Drago-Wayland equation and explain.
17. Explain the diagonal relationship of first and second group of elements.
82
18. What is meant by styx numbers. Explain with an example.

Page
19. Discuss the structure of S-N compounds.

20. What are silicones? Give any two uses.
21. Differentiate between 4f and 5f orbitals of inner transition elements.
22. What are super heavy elements? Give two examples.
23. Explain the Bethes notation of nuclear process with example.
24. Give the principles of neutron activation analysis.
Section C
25. Write an essay on the applications of VSEPR theory with suitable examples.
26. Explain the various methods used for the detection and measurements of radiation.
27. Explain the structure, bonding and preparation of B2H6.
28. Discuss the synthesis, structure and bonding of P-N and P-S compounds.
(2 4 = 8weightage)
83
Page
(CSS)
Chemistry
CH1CO3 - STRUCTURE AND REACTIVITY OF ORGANIC COMPOUNDS
(2015 Admissions)
Section A
1. State Hammonds postulate.
2. Among the cis and trans isomers of 2-acetoxycyclohexyl p-toluenesulfonate, which one is
more reactive and why?
3. Neomenthyl chloride readily undergoes HCl elimination than menthyl chloride. Why?
4. Using a Fischer projection of phenylacetaldehyde, identify its pro-R and pro-S hydrogens.
5. Construct a qualitative MO diagram for ethylene and 1,3-butadiene.
6. Among the following which one is more aromatic and why?
a) [18] annulene b) [10] annulene
7. Identify the most stable conformation of methyl 4-t-butylcyclohexane-1-carboxylate and
why?
8. What are chiral auxiliaries?
9. The Z- isomer of N-methylformamide is much more stable compared to E-isomer. Why?
10. Draw the chair conformation of cis and trans-decalins.
11. What are enantiotopic, homotopic and diastereotopic hydrogens?
12. Distinguish between stereoselectivity and stereospecificity.
Section B
13. On the basis of MO theory discuss the aromaticity of benzene and antiaromaticity of
cyclobutadiene.
14. What are crown ethers? What are their important synthetic applications?
15. Explain Marcus equation.
84
16. Discuss the effect of conformation on SN1 and SN2 reactions of equatorial leaving groups
Page
in flexible and rigid cyclohexanes.

17. Predict the different products formed by the reaction four diastereomeric 2-bromo-4-
phenylcyclohexanols with base and Ag2O.
18. Describe the conformers and their stability of a) n-butane and b) ethylene glycol
19. Discuss the optical activity of compounds without chiral carbons.
20. Discuss the various methods for the resolution of enantiomers.
21. Explain the stereochemistry involved in Sharpless asymmetric epoxidation and
dihydroxylation.
22. Discuss the Felkin-Ahn model of Crams rule in predicting the stereochemistry of the
reaction between Grignard reagent and chiral aldehydes.
23. What are alterant and nonalterant hydrocarbons?
24. Discuss the effect of semipinacolic deamination of cis- and trans-2-aminocyclohexanols.
Section C
25. Write brief notes on (a) electron donor-acceptor complexes; (b) cryptates; (c) inclusion
compounds and (d) cyclodextrins
26. Write brief notes on (a) Curtin-Hammett principle; (b) neighbouring group participation;
(c) electronic substituents effects in SN1 and SN2 reactions.
27. Discuss the different methods for the asymmetric synthesis.
28. Discuss the conformation and stability of disubstituted cyclohexanes, decalines and
adamantanes.
85
Page
(CSS)
Chemistry
CH1CO4 THERMODYNAMICS, KINETICS AND CATALYSIS
(2015 Admissions)
Section A
1. State and explain third law of thermodynamics.
2 Explain Onsager reciprocal relations.
2. Define forces and fluxes with reference to irreversible processes.
3. Briefly explain secondary salt effect.
4. Explain residual entropy.
5. Using Jacobians prove that (T/ V)S = - (P/ S)V
6. Define auto catalysis. Give one example.
7. Distinguish between diffusion controlled and activation controlled reactions.
8. Write London equation for calculating activation energy. Explain the terms.
9. Write the expression for rate constant for a reaction between A and B under the combined
influence of diffusion and electrostatic forces. Explain the terms involved.
10. Unimolecular gas phase reactions on solids follows first order kinetics at low pressures and
zero order kinetics at high pressures. Illustrate.
11. Write down Glansdorf-Pregognine equation
12. What is BET equation and explain the terms?
Section B
13. Derive BET adsorption isotherm.
14. Define phenomenological coefficients. Show that direct coefficients always dominate
indirect coefficients?
15. Using third law of thermodynamics show that absolute zero of temperature is unattainable.
16. With the help of Lindemanns theory discuss unimolecular reactions
86
17. Discus the role of bistability with respect to Oregonator mechanism.

Page
18. Explain Arrhenius intermediates and Vant Hoff intermediates. How do they differ in their
potential energy diagrams?
19. Discuss the applications of ESCA, SEM and TEM in the study of surfaces.
20. Discuss the kinetics of chain reactions taking H2-O2 reaction as an example.
21. Explain the term reaction co-ordinate with reference to potential energy surfaces.
22. Describe the effect of solvent and ionic strength on the rate constant of a reaction?
23. Derive the Eyring equation?
24. Explain Langmuir-Hinshelwood mechanism of the bimolecular surface reaction
Section C
1. (a) Explain the BET theory of adsorption.
(b) Discuss the use of Langmuir and BET isotherms for surface area determination.
2. Discuss briefly the Rice-Herzfeld mechanism of organic decomposition reaction.
3. Show that for a bimolecular reaction, Absolute rate theory agrees well with simple collision
theory?
4. (a) Describe the essential features of Langmuir-Hinshelwood, Eley-Rideal mechanism for
surface catalyzed reactions.
(b) If the reaction between CO and O2 on Pt surface is obeying Langmuir-Hinshelwood rate
equation, then show that if [CO] is held constant (CO < 0.35) and [O2] is varied, the
maximum rate of the reaction is,
max = k3KCO[CO] / 4(1+KCO[CO]).
87
Page
SECOND SEMESTER M. Sc. DEGREE EXAMINATION
(CSS)
Chemistry
CH2CO5 - APPLICATIONS OF QUANTUM MECHANICS AND
GROUP THEORY
(2015 Admissions)
Section A
1 State and explain Independent particle model.
2 What do you mean by first order perturbation method? Explain.
3 What do you mean by GTO? Write one example.
4 Explain the term free valance on a carbon atom in a conjugated system.
5 State and explain variation theorem.
6 What is a coulomb operator? Explain its significance.
7 Write the trial wave function to understand bonding in H2 by VB method.
8 Write the molecular orbital configuration for CO. Find the bond order.
9 State Laporte selection rule for centrosymmetric molecules.
10 Sate and explain rule of mutual exclusion principle using group theory.
11 Explain the term Inverse transformation
12 Differentiate the terms SAGO and SALC.
Section B
13 Find the ground state energy of particle in a one dimensional box by variation method. Use the
trial function = x(a-x). a is the length of the box
14 Find the ground state energy of He by first order perturbation method.
15 Briefly discuss the Roothans concept of basis functions.
16 Write a brief of quantum mechanical treatment of sp2 hybridization.
17 Taking bonding in NO draw correlation diagram. Discuss
18 Find the ground state energy of He atom using variation method.
88
19 Compare the VB and MO treatment of molecules.

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20 Find the charge density of carbon atom in butadiene. The pi molecular orbitals are
1= 0.3717 p1 + 0.6017p2 + 0.6017 p3 + 0.3717 p4

2= 0.6017 p1 + 0.3717 p2 -0.3717 p3 + 0.6017 p4
3= 0.6017 p1 - 0.3717 p2 -0.3717 p3 + 0.6017 p4
4 =0.3717 p1 - 0.6017p2 - 0.6017 p3 - 0.3717 p4
21 H2O belongs to C2v point group. Find the group orbitals involved bonding with O atom orbitals.
22 Using group theory rationalize rule of mutual exclusion principle.
23 How do you explain Laporte selection rule using group theory.
24 Using 2Px orbital on Cis butadiene find out the reducible representation and reduce it to
irreducible representation. Use the C2v character table.
Section C
25 HCHO belongs to C2v point group. Using group theory, find out the lowest energy electronic
transition.
C2v E C2 v v
A1 1 1 1 1
A2 1 1 -1 -1
B1 1 -1 1 -1
B2 1 -1 -1 1
26 Find the energy of the one of pi molecular orbitals in benzene using HMO method.
27 Discuss briefly the self consistent filed method of solving many electron atoms.
28 Discuss briefly the LCAO method of bonding applied to hydrogen molecule .
89
Page
(CSS)
Chemistry
CH2CO6 - CO-ORDINATION CHEMISTRY
(2015 Admissions)
Section A
1. Illustrate Template effect with an example.
2. Give one example each for ambidentate and macrocyclic ligands.
3. What is meant by spectrochemical series? Why is it called so?
4. Why the d orbital splitting energy in a tetrahedral field is lower than that in an octahedral
field?
5. State the selection rules for d-d transitions in transition metal complexes.
6. What is meant by spin- orbit coupling?
7. Arrive at the ground terms for Ni2+and Co3+.
8. Explain the terms labile and inert used in coordination chemistry.
9. What is aquation reaction?
10. What is cis effect?
11. What is Marcus equation?Discuss its application.
12. Explain photo isomerisation with an example.
Section B
13. Explain the spectrophotometric method for the determination of stability constant.
14. What is chelate effect? Discuss its thermodynamic origin.
15. Explain Jahn-Teller effect. What is its spectral consequence?
16. What is CFSE? Indicate the factors that affect CFSE? Calculate the CFSE in terms of o
for a d8 system in an octahedral complex.
17. Explain the SN 1CB mechanism for base hydrolysis.
18. Construct the Orgel diagram for [V(H2O)6]3+ and assign the various electronic transitions.
90
19. Explain how octahedral and square planar complexes of cobalt(III) can be distinguished
Page
from their magnetic susceptibility values.

20. Discuss the photochemical reactions of ruthenium complexes.
21. Discuss the principle and experimental set up in Gouy method for determination of
magnetic susceptibility of solid metal complex.
22. Explain Adamsons rules for the prediction of substitution lability.
23. Briefly explain the application of IR spectroscopy in the study of coordination complexes.
24. Discuss the important characteristics of nuclides that can be studied with Mssbauer
spectroscopy.
SECTION C
25. Construct the molecular orbital diagram for an octahedral complex with sigma bonding only
and discuss the salient features. Explain the effect of pi bonding on the o value.
26. What is the theory involved in trans effect. Explain its application in the synthesis of
transition metal complexes.
27. Explain the inner sphere mechanism for electron transfer in redox reactions of metal
complexes. Discuss the influence of bridging ligand on inner sphere electron transfer.
28. a. What are stepwise and overall stability constants of metal complexes? How are they
related?
b. Discuss the crystal field theory of tetrahedral complexes.
91
Page
(CSS)
Chemistry
CH2CO7 - REACTION MECHANISM IN ORGANIC CHEMISTRY
(2015 Admissions)
Section A
1. How can the following be effected through condensation
O
COOEt COOEt
COOEt
2. Explain Crams rule with suitable examples?

3. What are FMOs? Why they are called so? Give the FMOs of propenyl cation.
4. Give two applications of 1,3 dipolar addition reactions
5. Why is elimination of hydrogen halide from a bridgehead halo compound difficult?
6. Describe an example for - elimination. Give its mechnaism
7. Explain how i) terpenes and ii) alkaloids are classified?
8. What are flavones and isoflavones
9. Mention is the effect of solvent polarity on SN1 reactions?
10. Give the name of the following reaction and write its mechanism
11. Write the mechanism of Photo Fries rearrangement?

12. What is meant by SNi mechanism? (12 x 1 = 12 weightage)
Section B
13. Discuss the BAc2 mechanism of ester hydrolysis with suitable evidences
14. Thermally 1,3 hydrogen shift doesnt take place normally, but 1,3 carbon shift occurs.
Explain?
92
15. Explain the mechanism, a) pyrolytic elimination of esters of acetic acid and b) E1cB
Page
eliminations?
16. Write an account of the a) photodimerisation of alkenes and b) photoaddition of alkenes to
ketones.
17. How was the structure of tropic acid elucidated and synthesized?
18. How can testosterone be obtained by synthesis?
19. What will be the conclusions drawn from the results of the experiments given below on any
suspected alkaloid isolated from a natural source: a) Reaction with Ac2O gives a product
with molecular weight increased by 42 b) Doesnt react with phenyl hydrazine c)
Forms an amine oxide with 30% H2O2 d) Distillation of the compound with aqueous
KOH yield dimethyl amine
20. Describe the benzyne mechanism and its evidence, of aromatic nucleophilic substitutions?
21. Discuss the structure and reactions of carbenes?
22. Explain the stereochemical outcome of aliphatic uni and bi molecular substitution reactions?
23. Write a note on stereochemistry of Diels Alder reactions? Justify the product below.
CHO
+ CHO
24. Write notes on i) ion pair mechanism and ii) cine substitution in aromatic nucleophilic
substitution reactions?
SECTION C
25. Derive the Woodward Hoffman selection rules for thermal and photochemical ring
closure/ring opening reactions of conjugated dienes and trienes, by correlation diagram
method?
26. Discuss in detail the mechanism of the following reactions:
a) Dieckmann Condensation b) Stobbe condensation
c) Wittig reaction d) Reformatsky reaction
27. Write brief notes on a) photoreactions of acyclic and cyclic ketones, b) Barton reaction,
c) dimethane rearrangement and d) photochemical polymer degradation
28. Describe in detail the mechanism of Zaitzev and Hofmann eliminations and explain the
orientation of newly formed C=C bond with attention to the substrate structure.
93
Page
(CSS)
Chemistry
CH2CO8 - ELECTROCHEMISTRY, SOLID STATE CHEMISTRY
AND STATISTICAL THERMODYNAMICS
(2015 Admissions)
Section A
1. Give electrode reactions, electrode reduction potentials, cell reaction and cell voltage
in proton exchange membrane fuel cell (PEMFC).
2. What are F centers? Explain
3. Compare the assumptions made by Einstein and Debye in explaining the heat capacity of
solids.
4. What is Debyes T3 law?
5. Derive the expression for internal energy in terms of partition function.
6. Give the expression for thermodynamic probability simplified using Sterlings
approximation.
7. What is half wave Potential? What are its significance?
8. What are color centres. Give one example.
9. Give the Hermann-Maugin notation for C2v Oh point group?
10. Explain with example the term Plane effect?
11. What is Meissner Effect? Explain
12. Explain the term glide plane?
Section B
13. Explain the working of a Ni-MH cell.
14. Explain Einsteins theory of heat capacity of solids.
15. What are ensembles? How are they classified? Explain.
94
16. Explain the differences between boltzons, fermions and bosons.

Page
17. What are the translational, rotational and vibrational contributions to total entropy?
18. Derive Fermi-Dirac distribution law.
19. Explain Bose-Einstein condensation taking liquid helium as an example.
20. Derive the Debye Huckel limiting law.
21. Discuss briefly rotating crystal method of X ray analysis.
22. Derive Stern Volmer equation.
23. Define stereographic projection for monoclinic system. Discuss.
24. Draw and explain the stereographic projections of monoclinic system?
SECTION C
25. Discuss following theories of hydrogen overvoltage
(a)The catalytic theory (b) the slow discharge theory
26. Discuss the Debyes theory of heat capacity of solids.
27. Derive the Boltzmann distribution law for partition function of particles of a system
identical but distinguishable particles.
28. Using Band theory discuss the classification of solids into conductors, insulators and
semi conductors.
95
Page

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File Ref.No.

Read:-1. U.O.No. GAIV/J1/1373/08 dated, 23.07.2010.

(Scheme and Syllabus is uploaded in Website)

Regulations and Syllabus with effect from 2015 admission

Pattern of the Programme

Project and Viva Voce

Grading and Evaluation

b) Assignments and Exercises- weightage =1

Total weightage 15 and credit for project is 4.

(7) Directions for question paper setters:

Dr. Joby Thomas K

Structure and reactivity of organic

Total credits: Core 12

CH2PO4 Inorganic chemistry practical II 4 4

CH2VO1 Viva voce 2

CH1CO1 - QUANTUM CHEMISTRY AND GROUP THEORY (3Credits, 54 hrs)

Unit 1: Introduction to Quantum Mechanics (9hrs)

Unit 2: Quantum Mechanics of Translational & Vibrational Motions (9hrs)

Unit: 3 Quantum Mechanics of Rotational Motion (9hrs)

Unit 4: Quantum Mechanics of Hydrogen-like Atoms (9hrs)

Unit 5: Foundations of Group Theory & Molecular Symmetry (9hrs)

Reference for Units 1 to 4

CH1CO2 - ELEMENTARY INORGANIC CHEMISTRY (3 Credits, 54hrs)

Unit 1: Molecular Structure and Bonding (9hrs)

Unit 2: Concepts of Acids and Bases (9hrs)

Unit 3: Chemistry of Main Group Elements-I (9hrs)

Unit 6: Nuclear and Radiation Chemistry (9hrs)

CH1CO3 - STRUCTURE AND REACTIVITY OF ORGANIC COMPOUNDS

Unit 1: Structure and Bonding in Organic Molecules (9hrs)

Unit 2: Structure and Reactivity (9hrs)

postulate, BellEvansPolanyi principle, Marcus equation, Curtin-Hammet principles,.

Acidity constant, Hammet acidity function.

Unit 3: Conformational Analysis I (9hrs)

Unit 4: Conformational Analysis II (9 hrs)

neoisomenthol). (f) Esterification of axial as well as equatorial carboxyl groups and

Unit 5: Stereochemistry (9hrs)

Unit 6: Asymmetric Synthesis (9 hrs)

Wiley & Sons, 2008.

CH1CO4 THERMODYNAMICS, KINETICS AND CATALYSIS

Unit 2: Thermodynamics of Irreversible Processes (9 hrs).

Unit 3: Chemical Kinetics (9 hrs)

Unit 5: Surface Chemistry (9 hrs)

Unit 6: Catalysis (9hrs)

Company, New York, 2003.

CH2CO5 - APPLICATIONS OF QUANTUM MECHANICS AND

Unit 1: Approximation Methods in Quantum Mechanics (9hrs)

Unit 2: Quantum Mechanics of Many-electron Atoms (9hrs)

Unit 3: Chemical bonding in diatomic molecule (9hrs)

Unit 4: Chemical Bonding in polyatomic molecules (9hrs)

empirical MO treatment of planar conjugated molecules Hckel Molecular Orbital

Unit 5: Applications of Group Theory to Molecular Spectroscopy (9hrs)

Unit 6: Applications of Group Theory to Chemical Bonding (9hrs)

References (for Units 1 to 4)

6. Donald, A. McQuarrie, Quantum Chemistry, University Science Books, 1983 (first

Indian edition, Viva books, 2003).

For Units 5&6

CH2CO6 - CO-ORDINATION CHEMISTRY (3Credits, 54hrs)

Unit 1: Stability of Co-ordination Compounds (9hrs)

Unit 2: Theories of Bonding in Coordination Compounds (9hrs)