Symmetry point group

Reference:
1. Chemical Applications of Group Theory, F. A. Cotton
2. Molecular Symmetry and Group Theory, R. L. Carter; John Wiley & Sons, Inc
3. Group Theory and its Applications to Chemistry, K. V. Raman; Tata McGraw-
Hill Pub. Comp. Ltd.
4. Group Theory and Chemistry, David M. Bishop, Clarendon Press.
5. Symmetry and Spectroscopy of Molecules, K Veera Reddy, New Age Int. (P) Ltd.

Matrix Representations of Symmetry operations:

[4-p72]
The best way to understand how the symmetry operations of a molecule influence its
properties is to study the sets of matrices which mirror those same operations. Using
matrix representation we replace the geometry of symmetry operations with the algebra
of matrices.

One way is to consider the effect that a symmetry operation has on the Cartesian
coordinates of some point (or equivalently, on some position vector) in the molecule.

Symmetry operation on a position vector:

The Identity: A point (x,y,z) does not change under this operation. Therefore, the
identity operation is represented by a unit matrix.
1 0 0  x   x 
0 1 0   y  =  y 
    
0 0 1  z   z 

Inversion:
This operation results simply the change of signs of all the coordinates. Clearly we need a
negative unit matrix to represent inversion operation.
− 1 0 0  x  − x 
0 − 1 0   y  =  − y 
    
0 0 − 1  z  − z 

Reflections:
1 0 0   x   x 
σ ( xy) : 0 1 0   y  =  y  etc.
0 0 − 1  z  − z 

1
Proper rotation:
Defining the rotation axis as the z axis, one should note that z coordinate will be
remaining unchanged by any rotation about x axis. Thus the matrix we seek must be, in
part,
 0
 0

0 0 1 
Other four elements can be obtained as follows.
Bishop [Ref. 4]

[5-p158]
Cn(z) :
 cosθ sin θ 0 
− sin θ cosθ 0
 
0 0 1 
for clockwise
rotation,
Cn(z) :
 cosθ − sin θ 0
sin θ cosθ 0 

0 0 1 
for
counterclockwis
e rotation.

Improper rotation:
Sn(z) = σ (xy ) Cn(z), i.e., an improper rotation equivalent to proper rotation followed by
mirror image in the horizontal plane. So, one can think of just changing sign of z

2
coordinate in addition to proper rotation. The matrix corresponding to an improper
rotation has the form
 cosθ sin θ 0 
Sn(z) : − sin θ cosθ 0  for clockwise rotation.
0 0 − 1
One could however, have obtained this matrix by explicitly multiplying the matrices for
rotation around z axis and reflection in the xy plane.
1 0 0   cosθ sin θ 0   cosθ sin θ 0 
0 1 0  × − sin θ cosθ 0 = − sin θ cosθ 0 
     
0 0 −1 0 0 1  0 0 − 1
σ (xy ) Cn(z) Sn(z)

Character of matrices corresponding to operations: trace of the matrices; sum of the

diagonal elements.
Symmetry operation Character of matrix
Identity 3
Rotation 2cos θ +1
Reflection 1
Inversion -3
Improper rotation 2cos θ -1

Matrix representation of C2h point group: (Bishop, p-78)

Take planner trans-C2H2Cl2 as an example. Symmetry operations: E, C2, i, σh.
Considering three base vectors (e1,e2,e3) inside the molecule such that e3 coincides with
C2(z) one can have:

1 0 0  − 1 0 0  − 1 0 0 1 0 0 
E = 0 1 0  , C2(z) = 0 − 1 0  , i = 0 − 1 0  , σh = 0 1 0  .
     
0 0 1 0 0 1  0 0 − 1  0 0 −1
Using matrix multiplication as the combining operation, we can construct a group
− 1 0 0 − 1 0 0 1 0 0 
multiplication table: C2 i = 0 − 1 0  0 − 1 0  = 0 1 0  = σh
0 0 1  0 0 − 1  0 0 −1
This is using the fact that if operations R, S and T obey the relation RS=T, then their
corresponding matrices follow the same relation.

Representation of groups:
[1-p78]

3
The set of matrices for the various symmetry operations of a point group forms a
representation. For C2v group multiplication table:

E C2 (z) σv (xz) σv’(yz)

E E C2 σv σv’
C2 C2 E σv’ σv
σv σv σv’ E C2
σv’ σv’ σv C2 E

By transformation (say, similarity transformation) we can generate a new set of matrices

which also follow the rules of the group and hence will form a new representation for the
same group C2v.

[2-p40]
For our purpose, we define a representation of a group as a set of symbols that will satisfy
the multiplication table for the group. The symbols are called character of the
representation. Let’s first consider the representations whose characters are simply
positive and negative integers. For example we make a set of substitutions for the four
operations of the C2v point group such that the substituted characters also obey the
general relationships of the above multiplication table, then the set of characters will be a
representation of C2v.

[1-p79]
Q. A natural question is then how many representations can be obtained for any particular
group?

Answer is a very large number. Very simple ones(considering only vector z, or x or y

individually):

E C2 (z) σv (xz) σv’(yz)

1 1 1 1 A1 z
1 -1 1 -1 B1 x
1 -1 -1 1 B2 y
1 1 -1 -1 etc. A2 Rz

These representations can be generated by considering unit vector transformation as

follows:
[2-p43]

For C2v point group,

Operations z unit vector becomes In matrix notation
E z [+1]z

4
 C2 z [+1]z
σv z [+1]z
σ v/ z [+1]z

We say then that z unit vector transform as A1 in C2v.

Similarly, look at the operations for x and y unit vectors, which transform as B1 and B2,
respectively.

Now consider a curved unit vector, Rz, representing rotation about the z axis.

Carter p-45

Thus we can say that Rz transforms as A2 in C2v or Rz belongs to the A2 species in C2v.

Some higher order representation can also be obtained by considering 3 unit vectors at
each atom along x,y and z, leading to a set of four 9x9 matrices.

Reducible and irreducible representations:

The simplest and fundamental representations those can not be represented by
combination of other representations are called irreducible representations.

However, there are some representations for those after similarity transformations of the
corresponding matrices can be block-factored and hence the representation can be
represented by the combination of irreducible representation. These are reducible
representation. E.g, for C2v point group a representation obtained by the character of the
transformation matrices of a vector in 3D (x,y & z) is :

[2-p50]
E C2 (z) σv (xz) σv’(yz)

5
 1 0 0  − 1 0 0 1 0 0   − 1 0 0
Гm 0 1 0  0 − 1 0  0 − 1 0  0 1 0 
       
0 0 1 0 0 1  0 0 1  0 0 1 

Гv 3 -1 1 1 = A1 + B1 + B2

The above reduction can be done using block diagonalization method, where we mark off
a series of matrices along the diagonals of all the matrices as follows:

C3v group:
[1-p13]
If B and P are two elements of a group, then P-1 B P will be equal to some element of the
group, say A. We have A = P B P-1.
We express this relation is words by saying that A is a similarity transform of B by P. We
also say that B and A are conjugate.

Symmetry operations we have in this group are:

E, {C 3 , C 32 }{
, σ v/ , σ v// , σ v/// } and these operations form a group. Again, each set of
operations in a {…..} is a different class. A complete set of operations that are conjugate
to one another is called a class of the group.

We know that operations under a class are related to each other by ‘similarity
transformation’, namely with the following relation:
A = P B P-1. In other words if any two operations (A,B) are related to each other by
similarity transformation then they are in the same class.
In case of matrix representation, the matrices are said to be conjugate matrix of each
other.

Conjugate matrices have identical characters.

[1-p69]
Character is simply the sum of the diagonal elements of a square matrix, χ A = ∑ aii .
i
Theorem: If C=AB and D=BA then the characters of C and D are equal.

Proof:
[1-p70]
Since the associative law holds for matrix multiplication, we can write
χ A = χ of (P B P-1) = χ of (P B )P-1 = χ of P-1(PB) = χ B

[2-p55]

6
Therefore, one can say that for any representation the character of the transformation
matrix for a given operation is the same as that for any other operation in the same class.

This permits listing one character for each class of operations for each irreducible
representation in the character table. Using counterclockwise rotation we have,

Our inability to reduce this matrix representation into three irreducible representations of
1x1 matrices, equivalent to characters, is a consequence of the mixing of x and y by the
C3 operation.

We can still obtain irreducible representation of characters by summing along the trace of
the block matrices. This gives the following representations:
C3v E 2C3 3σ v
Γx, y 2 -1 0 Doubly degenerate Irr. Rep.
Γz
1 1 1

Does the first representation follow the group multiplication table?

Properties of irreducible representation:

An irreducible representation is going to be accepted if it follows the “Great

Orthogonality Theorem”. In other words, Great orthogonality theorem (GOT) leads us to
generate the limited set of irreducible representations that are allowed for each group.

7
It has similarity with the acceptable basis functions must be orthonormal. Or with the
concept of unit vectors representations, where each unit vectors are orthonormal. Each
basis function or each unit vector are unique, so also the irreducible representations.

Some of the general relationships arising from the GOT:

1. The sum of the squares of the dimensions of all the irreducible representations is
equal to the order ( total number of nonredundant symmetry operations) of the
group: ∑ d i2 = h .
i

Since the character of the operation E in the i-th irreducible representation, χ i (E )

, is equal to the dimension (order) of the representation, we can write
∑ [χ i ( E )]2 = h .
i

2. Also note that, the sum of the squares of the characters in any irreducible
representation is equal to order of the group: ∑ [χ i ( R ) ] = h
2

Example: Take C2v and C3v character table and explain.

3. The number of irreducible representations of a group is equal to the number of

classes.
4. Any two different (nonequivalent, i.e., they are not related by similarity
transformation [AK Chandra, p310]) irreducible representations are orthogonal,
which means that ∑ g c χ i ( Rc ) χ j ( Rc ) = 0.
Rc

Physically this means two vectors that transform by different irreducible

representations are orthogonal.
Explain: using C3v character table.
Construction of character tables:

C2v: Four nonredundant symmetry operations and each is in a separate class. Hence, the
order = 4 and there are four irreducible representations.

Step 1:
Rule 1: d 12 + d 22 + d 32 + d 42 = 4 , only one solution: d 1 = d 2 = d 3 = d 4 = 1
Thus the group C2v has four one dimensional irreducible representations.

Step 2:

Rule 2: Using ∑ [χ ( R)]

R
i
2
= h = 4 , with χ ( E ) = 1 , vector in 4-space will obviously be

C2v E C2 σv σ v/

8
Γ1 1 1 1 1

Step 3: All other representations will have to be such that ∑ [χ ( R)]

R
i
2
= h = 4 , which us

only possible if each χ i ( R ) = ±1 . Moreover, each of the other representations to be

orthogonal to Γ1 . As a matter of fact there will have to be two +1’s and two -1’s.
Therefore, we will have

C2v Mulliken E C2 σv σ v/
Γ1 A1 1 1 1 1
Γ2 B1 1 -1 1 -1
Γ3 B2 1 -1 -1 1
Γ4 A2 1 1 -1 -1

C3v Character table:

Consists of the following elements, listed by classes
E 2C3 3 σ v
Order of the group = 6. Number of possible irreducible representation = 3.

Step 1:
Rule 1: d 12 + d 22 + d 32 = 6 , the only values of the di that will satisfy this requirement are 1,
1 and 2, as one can only assume positive integer values other than zero for dimension of
any representation.

Step 2: Every point group possesses one representation which is totally symmetric in
which all the operations have the character value +1.

C3v E 2C3 3σ v
Γ1 1 1 1
Γ2 1 a b
2 c d
Γ3

Step 3: We now look for a second vector Γ2 in 6-space, with χ ( E ) = 1 and orthogonal to
Γ1 . We have using ∑ [χ ( R)]
R
i
2
= h,

1 + 2a2 + 3b2 = 6 …………………..(1)

and using ∑ g c χ i ( Rc ) χ j ( Rc ) =0,
Rc

1 + 2.1.a + 3.1.b=0…………………..(2)

9
 3b + 1
From eqn. 2, a=− . Inserting this in equation 1, we have
2
2
 3b + 1  2
1 + 2 −  + 3b = 6
 2 
9b + 6b + 1 + 6b 2 = 10
2

15b 2 + 6b − 9 = 0
5b 2 + 2b − 3 = 0
5b 2 + 5b − 3b − 3 = 0
(5b − 3)(b + 1) = 0
The acceptable solution b = -1 ( as characters are not a fractional numbers), therefore,
a = 1.
Similarly, for Γ3 , we have d = 0, c = -1.

Description of character tables: Cotton- p90-92.

Character table for C2v point group

linear,
E C2 (z) σv(xz) σv(yz) quadratic
rotations
A1 1 1 1 1 z x2, y2, z2
A2 1 1 -1 -1 Rz xy
B1 1 -1 1 -1 x, Ry xz
B2 1 -1 -1 1 y, Rx yz

Character table for C3v point group

linear,
E 2C3 (z) 3σv quadratic
rotations
A1 1 1 1 z x2+y2, z2
A2 1 1 -1 Rz
E 2 -1 0 (x, y) (Rx, Ry) (x2-y2, xy) (xz, yz)

1. One dimension: A (if χ(Cn) = + 1); B (if χ(Cn) = -1)

2. Subscript 1 (if symmetric wrt perpendicular C2 or vertical plane of symmetry), 2
otherwise.

10
3. Primes ( symmetric wrt σh ), else double primes.
4. g (gerade) if inversion symmetry is there, else u

Linear, rotation:
X,y and z vector transformation. According to these vectors, a p-orbital will change. Rx,y,z
rotation about x,y,z. Consider a curved vector Rz, rotation about z axis (Carter, p-45).

Quadratic terms: in the last column are important as transformation properties of a d

orbital will follow that. (Carter, p-59)
Xz,yz transform as x & y as z does not mix with x & y. (Raman, p-86)

Character ε = exp(2πi/n), n being order of the principal axis.

Systematic Reduction of Reducible Representation:

We may express χ (R) , the character of the matrix corresponding to operation R in a

reducible representation χ ( R ) = ∑ n j χ j ( R )
j

Where nj represents the number of times the j-th irreducible representation occurs in the
reducible representation.
Multiplying each side by χ i (R ) and summing each side over all the operations R one
obtains
∑ χ ( R) χ i ( R) = ∑ ∑ n j χ j ( R) χ i ( R) =∑ n j ∑ χ j ( R) χ i ( R) as nj same for all R.
R R j j R

= ∑ n j hδ ji
j

The terms in right hand side are going to survive only when j=i, δ ji = 0 otherwise.
1
Therefore, we have ∑ χ ( R) χ ( R) = n h
R
i i or ni = ∑ χ ( R) χ i ( R) .
h R
1
Or ni = ∑ g c χ ( R) χ i ( R)
h Rc

Examples:
Character table for C2v point group
linear,
E C2 (z) σv(xz) σv(yz) quadratic
rotations
A1 1 1 1 1 z x2, y2, z2
A2 1 1 -1 -1 Rz xy
B1 1 -1 1 -1 x, Ry xz

11
 B2 1 -1 -1 1 y, Rx yz
ΓR 9 -1 1 3 = 3A1+A2+2B1+3B2

Character table for C3v point group

linear,
E 2C3 (z) 3σv quadratic
rotations
A1 1 1 1 z x2+y2, z2
A2 1 1 -1 Rz
E 2 -1 0 (x, y) (Rx, Ry) (x2-y2, xy) (xz, yz)
ΓR 7 1 -3 = 3A2+2E

Symmetry adapted atomic basis sets:

[1-p114]
For constructing MOs, we take sets of orthonormal function, which are generally atomic
orbitals (AOs) or internal coordinates of a molecule and make orthonormal linear
combinations of them in such a way that the combinations form bases for irreducible
representations of the symmetry group of the molecule. These combinations may be
called symmetry adapted linear combinations (SALCs).

[1-p119]
The fundamental, universally applicable tool for constructing SALCs is the projection
operator. The most important and frequent use for projection operators is to determine the
proper way to combine atomic wave functions on individual atoms in a molecule into
MOs that correspond to the molecular symmetry.

Projection operator by name itself implies that if we project an MO into the atomic
orbital bases gives the corresponding components. Like a vector, if we need to know the
components along x,y and z we take projection along three axes. We define symmetry
adapted function
ψ i = ∑ χ i ( R ) ( Rφ )
R

Bonding in water: (Thakur, p-260)

1. Take a linear combination of the two hydrogen 1s atomic orbitals which transform like
the irreducible representations of the C2v point group. Considering the two hydrogen 1s-
orbitals as the basis for new representation (to obtain SALCs) we get the new
representation as
E C2 σv σv’
Г 2 0 0 2
This can be obtained by the characters of the transformed matrices.

12
 1s  0 1 1s a 
C2  a  =   
1sb  1 0 1sb 

Or by considering the method of unshifted vector method.

2. Now we need to find out the component irreducible representations in this

representation Г = A1 + B2.
So there will be two SALCs.
3. To generate these we apply the projection operator method: (Cotton, p-106) take a
function of the basis set and operate on it with each of the operations of the point group;
multiply the result with the appropriate character of the irreducible representation and
 
~
sum them up: ψ =  ∑ χ ( R ) R ϕ = pφ (Chandra, p-318).
 R 
1
For the present case ψ ( A1 ) = (1s a + 1sb ) , ψ (B2 ) = 1 (1s a − 1sb )
2 2
4. To obtain MOs we now combine these SALCs with atomic orbitals of O atom that
transform similarly according to same irreducible representation as follows:

Symmetry species SALC Orbitals of atomic O

A1 1 2s, 2pz
ψ ( A1 ) = (1s a + 1sb )
2
B1 None 2px
B2 1 2py
ψ (B2 ) = (1s a − 1sb )
2

So the MOs are going to be:

 1
Of A1 symmetry: a1 = C1(2s) + C2(2pz) + C3ψ ( A1 )= (1s a + 1sb )
 2 
Coefficients are obtained from a 3x3 determinant (see Cotton, p-124,125), secular
equation.

Of B1 symmetry b1= 2px (non bonding)

 1
Of B2 symmetry b2 = C4(2py) + C5ψ (B2 )= (1s a − 1sb ) ; coefficients are obtained
 2 
from 2x2 determinant.

What about another non-bonding MO: it is basically non-bonding MO at O formed by

2pz + 2s, a1(n) = C6(2s) + C7 (2pz)

13
Schematic MO diagram for H2O:

Bonding in NH3:
AK Chandra, p-317

1. We take a linear combination of the hydrogen atomic orbitals which transform

like the irreducible representation of the C3v group. We lebel the three hydrogen
1s-orbitals as 1sa, 1sb, and 1sc, which form bases for a new representation.
2. The character of the new representation is given as (using unshifted basis rule)

C3v E 2C3 3σ v
Γ1 3 0 1 = A1+E

Component irreducible representations in this reducible representation are A1 + E.

3. We need to generate symmetry-adapted functions which transform as A1 and E.
Take one function, say 1sa of the basis set and operate on it with each of the
operations of the group; multiply the result of each operation by the

14
 corresponding character of the operations in the particular irreducible
representation and sum the result. Systematically we do this as follows:

C3v E C3 C 32 σ va σ vb σ vc
Operating on 1sa 1sb 1sc 1sa 1sc 1sb
1sa

Multiplying 1x1sa 1x 1sb 1x1sc 1x1sa 1x1sc 1x1sb

with character
of A1

Therefore, the symmetry adapted SALC wavefunction which transform as A1 can be

written as ψ ( A1 ) = 2(1s a + 1sb + 1s c ) . After normalization we have
1
ψ ( A1 ) = (1s a + 1sb + 1s c ) .
3
Note that same result is obtained if one works with 1sb or 1sc.

For SALCs of E symmetry:

C3v E C3 C 32 σ va σ vb σ vc
Operating on 1sa 1sb 1sc 1sa 1sc 1sb
1sa

Multiplying 2x1sa -1x 1sb -1x1sc 0x1sa 0x1sc 0x1sb

with character
of E

1
ψ 1 (E) = ( 2.1s a − 1sb − 1s c )
6

C3v E C3 C 32 σ va σ vb σ vc
Operating on 1sb 1sc 1sa 1sc 1sb 1sa
1sb

Multiplying 2x1sb -1x 1sc -1x1sa 0x1sc 0x1sb 0x1sa

with character
of E

1
ψ 2 (E) = ( 2.1s b − 1s c − 1s a )
6

15
But ψ 1 and ψ 2 are not orthogonal. One can generate orthogonal functions using these
functions using Schmidt orthogonalization procedure.
The theorem reads as, even two degenerate functions are not orthogonal but their linear
combinations may be orthogonal.
Consider the functions ψ 1 and ψ 1/ = ψ 2 + cψ 1 which are orthogonal. Hence
∫ψ 1 (ψ 2 + cψ 1 ) dτ = 0
1
c = − ∫ψ 1ψ 2 dτ =
2
1
This leads to after normalization ψ 1/ ( E ) = (1sb − 1sc )
2

Symmetry species SALC Orbitals of atomic N

A1 1 2s, 2pz
ψ ( A1 ) = (1s a + 1sb + 1sc )
3
E 1 2px
ψ 1/ (E ) = (1sb − 1s c )
2
1
ψ 1 (E) = (2.1s a − 1sb − 1s c ) 2py
6

16
Direct product and its importance: (Cotton, p-93,98; Chandra, p-324)

Hψi = Eψi ; for degenerate eigen functions.

Q. Would H change after carrying out a symmetry operation?

17
A. NO. Because any symmetry operation on a molecule results in an indistinguishable
configuration from its original configuration, and hence energy does not change.

Therefore, R H = H R.
Hence, H Rψi = E Rψi ; indicates that Rψi is also an eigen function of H.
Now as ψi is normalized, in order to Rψi to be normalized Rψi = ±1ψi.
ψi ; i=1,2,….. φk; k = 1,2,3…….. are two sets of functions(perhaps eigen functions) of a
molecule which are bases for representations of the group and R is an operation in the
symmetry group of the molecule.

R ψi = ∑a ψ ji j ; R ϕ k = ∑ blk ϕ l ; Rψ i ϕ k = ∑ ∑a b ψ jϕl
ji lk
j l j l

Example (see Chandra, p-324), taking two doubly degenerate functions f and g, find fg.

The set of functions ψ iϕ k ; {ψ iϕ k }, called the direct product of ψi ; i=1,2,….. and φk; k =
1,2,3…….. , also forms a basis for a representation of the group.

Theorem:
1. The characters of the representation of a direct product are equal to the product of
the characters of the representations based on the individual sets of functions. i.e.,
χ(R) = χ 1 ( R ) χ 2 ( R)
2. The representation of a direct product, ГAB, will contain the totally symmetric
representation (A1) only if the irreducible representation ГA = the irreducible ГB.

Usefulness:
∧ ∧
Integrals of the type ∫ψ i Oψ j dτ , where O is an operator, are non vanishing if it
invariant under all the operations of the group, or some term in it, if it can be expressed as
a sum of terms, remains invariant. In other words, for the nonzero value of the integral,
the direct product of the representations (i.e., Γ(ψ i ) × Γ (ψ j ) = Γ (O ) ), must contain an
∧
irreducible component having the same properties as the operator O.
∧
1. Energy elements: (Cotton, p-101) ∫ψ i Hψ j dτ ≠ 0, only if ψ i and ψ j belong to
the same irreducible representation of the molecular point group. This is because
the Hamiltonian is totally symmetric and therefore, invariant under any operation
of the group. It will save the computational time wastage.
2. Spectral transition probabilities: (Cotton, p-102)
∧
Intensity of a transition, I, from a state ψ i to ψ j is given by I α ∫ψ i µ ψ j dτ ,
∧
where µ is a transition moment operator, those corresponding to changes in electric
or magnetic dipoles, multipoles, or polarizability tensors.

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 ∧ ∧ ∧ ∧
Considering electrical dipole operator µ = ∑ ei
i
xi + ∑ e yi + ∑ e zi , where
i
i
i
i

ei represents the charge of the i-th particle, we can have

∧ ∧ ∧
Ix α ∫ψ i xψ j dτ ; I y α ∫ψ i yψ j ∂τ ; I z α ∫ψ i zψ j ∂τ
These equations mean that the transition from the i-th to the j-th state(or the
reverse) may acquire its intensity in any of the three ways by interacting with an
electric vector oscillating in the x, y or z direction.

An electric dipole transition will be allowed if the direct product representation of

the two concerned states is or contains the irreducible representation to which x, y
or z belongs, respectively.

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 Symmetry and its applications
Home work
Due date: May 4, 2020

Q1. Find out the symmetry operations and hence the point group of the following
molecules:

(a) H2O2 (b) Allene (c) staggered ethane (d) pencil (e) a tennis ball
(f) Cyclohexane (g) Methane (h) Chloroform (i) Phenol (j) a cricket ball (k) SF6
(l) Ethylene

Q2. Obtain group multiplication table for chloroform using matrix representation of the
symmetry operations.

Q3. Construct character table for N2F2 molecule.

Q4. Form SALC’s for π-Orbitals for the Cyclopropenyl group, C3H3, using the three p-
orbital of three carbon atom as the basis.

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