EXAMPLE : CARBONYL VIBRATION

Given An infrared spectrum with a carbonyl (>C = O) stretch

−1
at 1720 cm
Find The frequency of the carbonyl vibration
Solution =c/ and v = 1/ hence

 (frequency)= c v
10
= (3 x 10 cm/sec) x 1720 / cm
13
= 5.16 x 10 cycles/sec

VIBRATIONAL ENERGY/FREQUENCY OF A DIATOMIC MOLECULE

A diatomic molecule can have only one vibration: stretching of the bond connecting the
−1
two atoms. The energy ( in cm ) associated with the stretching vibration of a diatomic
molecule whose atoms have masses m1 and m2 can be shown to be

v=
√
1 k
2 πc μ (1)

where v = wavenumber of the vibrational band in ( cm )

−1

c = velocity of light (cm/sec)

k = force constant of the bond (dyne / cm)
 = reduced mass of the atoms involved

The reduced mass is defined by

m1 m2
μ=
m 1 +m2
where m1 = mass of the first atom
m2 = mass of the second atom

If the atomic mass numbers are used for m1 and m2 instead of actual atomic masses
(Very small numbers), calculations of v can take simple form
−

v = 1327 √ Y /μ where Y= k.
 5
Given: The force constant of single, double and triple bonds are 5, 10, 15, x 10
dynes/cm respectively.

√
−
1 Κ m1 m2
μ=
v = 2 Πc μ cm-1 m1 +m2 m1=m2 = 12amu
= 12 x 1.6 x 10 -24 g

−24 2
(12 x 1. 6 x 10 g )
μ=
(12+12 )x 1 . 6 x 10−24 g

144
x1.6 x10−24 g
= 24
−24
= 6x1.6x10 g
5
K = 5 x 10
1 Κ
√
−

v = 2 Πc μ cm-1

1
10
√
10 5
= 2 x3 . 14 x3 x10 1. 6 x10
−24
x
5
√
6 cm −1
5
12
= 0.05308 x 10-10 250 x 10 x 6 cm
−1
√
5
= 13.27 x 10 x 6 cm
2 √ −1

= 1327 x √
= 1327 x 0.9128
5
6 cm −1
−1
= 1211 cm

For C=C
− m 1 xm2
v = 1327 √ Y /μ Given
μ=
m 1 +m 2
12 x 12 144
μ=
12+12 = 24 =6
Substitute: Υ =κ=10

√
−
10
v = 1327 6
−

v = 1713 cm −1

Substitute corresponding values and calculate. The calculated energies will be as

under:
−1
c- c ------- 1211 cm
−1
c=c ------- 1713 cm
−1
cc ------- 2048 cm