In Class Activity: Reducible Representation of NH3

• determine the reducible representation for the vibrational modes of

ammonia
C3 C3v E 2C3 3σ v
A1 1 1 1
σv N σv A2 1 1 −1
H
H E 2 −1 0
σv H

C3v E C3 σv
atoms 4 1 2
χ ( per atom) 3 0 1
Γ(NH 3 ) 12 0 2

In Class Activity: Reduce the Reducible Representation of NH3

C3v E 2C3 3σ v
Γ(NH 3 ) 12 0 1
• reduce using the reduction formula

C3v E 2C3 3σ v
Γ(NH 3 ) 12 0 2
A1 1 1 1
1
nA1 = [(1• 12 • 1) + (2 • 0 • 1) + (3 • 2 • 1)]
6
1 18
nA1 = [12 + 0 + 6 ] = =3
6 6
1 6
nA2 = [(1• 12 • 1) + (3 • 2 • −1)] = = 1
6 6
1 24
nE = [ (2 • 12 • 1) + (3 • 2 • 0)] = =4
6 6
Γ(NH 3 ) = 3A1 + 1A2 + 4E

In Class Problem: Complete the Assignment of NH3

Γ(NH 3 ) = 3A1 + 1A2 + 4E

• determine the irreducible representations for the translation and rotation of

the whole molecule
Γ(T ) = 1A1 + 1E
Γ(R) = 1A2 + 1E
Γ(T + R) = 1A1 + 1A2 + 2E

1
• subtract the translation and rotation from the reduced representation of 3N to
obtain the symmetry of the vibrational modes

Γ vib (NH 3 ) = Γ(NH 3 ) − Γ(T + R)

= ( 3A1 + 1A2 + 4E ) − (1A1 + 1A2 + 2E )
= 2A1 + 2E

• determine the IR and Raman activity of these modes

o IR have the same symmetry as the translational motions Γ(T ) = A1 + E
o Raman have the same symmetry as the binary functions Γ( f ) = A1 + E
• symmetry and activity of the vibrational modes of ammonia are
Γ vib (NH 3 ) = 2A1 (IR, pol) + 2E(IR, depol)