ISABELLA THOBURN COLLEGE,

LUCKNOW
NAME- Kanak Verma
CLASS- B.Sc. 3rd year
SEM- 6
COLLEGE ROLL NO- 227043
UNIV ROLL NO- 2210384010127
PAPER NAME- Quantum mechanics and
spectroscopy
TOPIC- “Nuclear Magnetic Resonance
Spectroscopy and its applications”
TEACHERS’ NAME- Dr. Meenakshi Singh
DEPARTMENT- Chemistry
 INTRODUCTION
The nucleus of a hydrogen atom (proton) behaves as spinning bar magnet
because it possesses both electric and magnetic spin. Like any other
spinning charged body, the nucleus of hydrogen atom also generates a
magnetic field.
Nuclear magnetic resonance involves the interaction between an oscillating
magnetic field of electromagnetic radiation and the magnetic energy of the
hydrogen nucleus or some other type of nuclei when these are placed in an
external static magnetic field. The sample absorbs electromagnetic
radiations in radio wave region at different frequencies since absorption
Consider a spinning
depends upon top.
the type ofItprotons
also or certain nuclei contained in the sample.
performs a slower waltz like
motion, in which the spinning axis
of the top moves slowly around the
vertical.
This is precessional motion and the top is said to be precessing around the
vertical axis of earth’s gravitational field. The precession arises from the
interaction of spin with earth’s gravity acting vertically downwards. It is
called Gyroscopic motion. Let us consider a peculiarity of a small magnet
spinning in an external field. It has been found that the proton (tiny
magnet) precesses about the axis of the external magnetic field in the
same manner in which a spinning gyroscope precesses under the influence
of gravity.

Where ω= angular precessional velocity

= applied field in gauss
= gyromagnetic ratio=
Here = magnetic moment of the spinning bar magnet
Planck's constant
= spin quantum number of the spinning magnet
According to the fundamental NMR equation which correlates
electromagnetic frequencies with the magnetic field,

Here is frequency of electromagnetic radiation

So we get, Angular precessional velocity ω=
The value of this frequency () inserted is called Precessional frequency.
The precessional frequency may be defined as the number of revolution
per second made by the magnetic moment vector of the nucleus around
the external field the precessional frequency of the spinning bar magnet
(nucleus) may be defined as equal to the frequency of electromagnetic
radiations in megacycles per second necessary to induce a transition from
one spin state to another.
 INSTRUMENTATION
Nuclear Magnetic spectrophotometer makes use of a magnet, a radio-
frequency, a detector and an amplifier. The detection system is used to note
that energy is being transferred from the radio-frequency beam to the
nucleus.
The sample under investigation is taken in a glass tube which is placed
between the pole faces of a magnet. A radio-frequency source (v= 60 mega
cycles sec-1) is made to fall on the sample. It can be done by feeding energy
(radio-frequency source) into a coil wound around the sample tube. A signal
is detected if the nuclei in the sample resonates with the source, i.e., ,
energy required to flip the proton is the same as that of the source. Energy
is transferred from the source via nuclei to the detector coil. The output
from the detector can be fed to a cathode ray oscillograph or to a strip chart
recorder after amplification etc.
Protons being in different electronic environments in a molecule
cannot resonate at exactly 60 mega cycles sec-1. For practical purposes,
radio-frequency source is held steady at the said frequency and field
By increasing the current flowing through these electromagnets, the total
field strength is increased.

As the field strength increases, the precessional frequency of each proton

increases until resonance with the radio-frequency source take place. As
proton( or a set of equivalent protons) comes to resonance, the signal from
the detector produces a peak on the chart paper. The NMR spectrum
consists of series of peaks that corresponds to different applied field
 INTERNAL STANDARDS
1. Tetramethyl Silane (TMS)- It is generally employed as internal
standard for measuring the position of 1H, 13C and 29Si in NMR
spectroscopy. It is due to the following facts:
a) It is chemically inert and miscible with a large range of solvents.
b) Its twelve protons are all magnetically equivalent.
c) It is highly volatile and can be easily removed to get back the sample.
d) It does not take part in intermolecular associations with the sample.
e) Its resonance position is far away from absorptions due to protons in
most organic molecules. Thus, assigning TMS=0 ( ), a scale can be
deviced in which most of t he proton resonances are of the same sign.
2. Sodium salt of 3-(trimethyl silyl) propane sulphonate- It is a
water soluble
compound. It is used as internal standard for running PMR spectra of
water
 IMPORTANT FEATURES IN NMR
SPECTROSCOPY
The Fundamental property of an atomic nucleus in NMR is the
nuclear spin , the value of which depends upon the mass number and the
atomic number of the nucleus. The nuclei having I>0 can be spin active :
1
H, 13C, 31P, 19F have nuclear spin equal to ½ and are spin active but 12C,
16O etc., with I=0 are not spin active. Spin active nuclei behave as
spinning nuclear magnets.
The precessional frequency is equal to the number of revolutions per
second made by the magnetic moment vector of the nucleus around the
external field, Ho
Chemical shift is defined as the difference in the resonance frequency
of a given proton compared to that of methyl protons of tetramethyl
silane (TMS) under the experiment condition. The chemical shift is
independent of the operating frequency of the instrument but is
dependent upon the solvent.
Anisotropic effect: The magnetic fields associated with the electron
Shielding of nucleus: When the effective magnetic field experienced by
the nucleus is less than that of the applied field, the nucleus is said to be
shielded. The signal for shielded proton appears upfield (i.e. lower value of
Deshielding of nucleus: When the effective magnetic field experienced
by the nucleus is more than the applied field, the nucleus is said to be
deshielded. The desheilding of proton is caused when it is surrounded by
electronegative atoms or groups. Ethylenic, aromatic and aldehydic
protons are highly deshielded: For such protons, the signal appears
downfield (i.e. at higher value of )
Spin-Spin splitting: Splitting occurs only between nuclei with different
chemical shifts, i.e. between magnetically non-equivalent protons. The
coupling interaction takes place between the neighbouring protons, most
often through bonds and results in the splitting of spectral lines. Coupling
also takes place between protons on the same carbon atom provided these
are in stereo chemically different environment.
Coupling constant: The coupling constant is a measure f the coupling
interaction between the nuclei. The spacing between the lines within a
coupled multiplet is constant. This constant distance, called coupling
constant is denoted by ‘J’ and is expressed in Hertz(Hz)
 APPLICATIONS
1. IDENTIFYING HUMAN DISORDERS- When used alongside
metabolomics data, NMR spectroscopy is an invaluable tool for identifying
human disorders. The cellular metabolism contains important biomarkers
used to diagnose a wide range of conditions, including tuberculosis,
pneumonia and malaria. NMR spectroscopy allows researchers to identify
these tell-tale biomarkers and treat patients accordingly. The technique can
also be used to investigate Parkinson’s disease, as well as cardiovascular
diseases and a range of neuropsychiatric disorders such a bipolar,
schizophrenia, major depression and autism-spectrum disorders.
2. CHEMISTRY LABORATORIES- Chemistry rely on NMR Spectroscopy as
a tool to chart the complex molecular structures of matter. The technique
sees samples placed in a specialized NMR spectrometer, where it is exposed
to a strong magnetic field. The gravitational pull generated by the field
excites the nuclei of some atoms and creates resonant frequencies. These
resonant frequencies are then tracked, measured and used to generate
useful data.
3. FOOD QUALITY CONTROL AND RESEARCH- Before hitting the
consumer market, foods undergo strict quality control and research
studies. NMR spectroscopy is widely used across the industry to map
protein structures, profile amino acids, identify carotenoids and qualify
metabolites.
4. MRI SCANS- Most people are familiar with Magnetic Resonance
Imaging (MRI) scans which use powerful magnetic fields and radio waves
to reveal detailed images of the internal organs. Data is generated based
on rates of absorption and energy emission recorded in the radio
frequency (RF) range. The medical imaging technique is founded in NMR
spectroscopy and uses the same basic principles.
5. CANCER DIAGNOSIS- Over the past few decades, NMR spectroscopy
has become a key technique for cancer diagnosis. The ability to analyse
abnormal behavior in the cellular metabolism allows scientist to detect the
metabolite-based biomarkers associated with cancers.
6. DRUG DISCOVERY AND DEVELOPMENT- From trailing new cancer
therapies to perfecting nutritional supplements, NMR spectroscopy is a
mainstay in the drug discovery and development arena.
6. ENVIRONMENTAL MONITORING- It’s not just the medical field
where NMR spectroscopy is considered a valuable tool, but the technique
is also used for environmental monitoring. Spectrometers are used to
detect and characterize contaminants in air, soil and water samples as well
as monitor the metabolic responses of organisms exposed to these
contaminants
 BIBLIOGRAPHY
I have taken help from the following sources:-
 Elementary Organic Spectroscopy by Y.R.Sharma, S.Chand publication
https://www.labmate-online.com
www.foodandnutritionjournal.org

THANK