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IR SPECTROSCOPY

Light is one form of electromagnetic radiation.


Light is only a very small part of the electromagnetic spectrum.
Electromagnetic waves consist of electric and magnetic fields
which are perpendicular to each other and to the direction of
travel of the wave.

The electric and magnetic fields vibrate at the same frequency


as each other.

THE ELECTROMAGNETIC SPECTRUM

Atoms, molecules and ions can absorb (or emit)


electromagnetic radiation of specific frequencies, and this
can be used to identify them.
Electromagnetic
radiation absorbed

What the energy is


used for

Spectroscopy
technique

Ultra-violet / visible

Movement of electrons to
higher energy levels

Ultra-violet / visible
spectroscopy

Infra-red

To vibrate bonds

Infra-red
spectroscopy

Microwaves

To rotate molecules

Microwave
spectroscopy

Radio waves

To change nuclear spin

NMR spectroscopy

INFRA-RED SPECTROSCOPY
All bonds vibrate at a characteristic frequency.

There are different types of vibration.

Symmetric stretch

Assymmetric stretch

Bending

The frequency depends on the mass of the atoms in the bond,


the bond strength, and the type of vibration.
The frequencies at which they vibrate are in the infra-red region
of the electromagnetic spectrum.

INFRA-RED SPECTROSCOPY
If IR light is passed through the compound, it will absorb some
or all of the light at the frequencies at which its bonds vibrate.
Wavenumbers (cm-1) are used as a measure of the wavelength
or frequency of the absorption.

Wavenumber =

1
wavelength (cm)

IR light absorbed is in the range 4000 400 cm-1.


Above 1500 cm-1 is used to identify functional groups.
Below 1500 cm-1 is used for fingerprinting.

BELOW 1500 cm-1 Fingerprinting

Complicated and contains many signals picking out


functional group signals difficult.

This part of the spectrum is unique for every compound, and


so can be used as a "fingerprint".

This region can also be used to check if a compound is pure.

CH2

CH2

CH3

CH3

CH3

C
CH3

CH

CH3

cyclohexane

CH

cyclohexene

CH

butanal
CH3

CH2

CH2

CH

ethanoic acid
CH3

OH

propan-1-ol

CH3

CH2

OH

CH2

OH

butanal

O
CH3

CH2

CH2

C=O

propanone
CH3

CH3

C=O

ethanoic acid
CH3

C=O

methyl ethanoate
CH3

C=O

CH3

hex-1-ene
95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30

C=C

25
20
15
10
4000

3500

3000

2500

2000

Wavenumbers (cm-1)

1500

1000

500

2-methylbut-2-ene

C=C

Exercise 1
Match the following eight compounds to the
following eight IR spectra.
hex-2-ene

butanal

pentane

butanoic acid

methylpropan-1-ol

propyl ethanoate

2-methylpentan-3-one

nitrobenzene


95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30
25
20
15
10
4000

3500

3000

2500

2000

Wavenumbers (cm-1)

1500

1000

500


95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30
25
20
15
10
4000

3500

3000

2500

2000

Wavenumbers (cm-1)

1500

1000

500


95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30
25
20
15
10
4000

3500

3000

2500

2000

1500

1000

500

Wavenumbers (cm-1)


95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30
25
20
15
10
4000

3500

3000

2500

2000

1500

1000

500

Wavenumbers (cm-1)


95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30
25
20
15
10
4000

3500

3000

2500

2000

1500

1000

500

Wavenumbers (cm-1)


95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30
25
20
15
10
4000

3500

3000

2500

2000

1500

1000

500

Wavenumbers (cm-1)


95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30
25
20
15
10
4000

3500

3000

2500

2000

1500

1000

500

Wavenumbers (cm-1)


95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30
25
20
15
10
4000

3500

3000

2500

2000

1500

1000

500

Wavenumbers (cm-1)

propyl ethanoate

O
CH3

CH2

CH2

CH3

95
90
85
80
75
70
65

%T

60
55
50
45
40

C=O

35
30

C-O

25
20
15
10
4000

3500

3000

2500

2000

1500

1000

500

Wavenumbers (cm-1)

2-methylpentan-3-one

CH3

CH3

CH

CH2

CH3

95
90
85
80
75
70
65

%T

60
55
50
45
40
35

C=O

30
25
20
15
10
4000

3500

3000

2500

2000

Wavenumbers (cm-1)

1500

1000

500

CH3

methylpropan-1-ol

CH3

CH CH2

OH

95
90
85
80

O-H

75
70
65

%T

60
55
50
45
40
35
30
25
20
15
10
4000

3500

3000

2500

2000

1500

1000

500

Wavenumbers (cm-1)

nitrobenzene

NO2

95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30

C-H

25
20
15
10
4000

3500

3000

2500

2000

1500

1000

500

Wavenumbers (cm-1)

pentane

CH3

CH2

CH2

CH2

CH3

95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30

C-H

25
20
15
10
4000

3500

3000

2500

2000

Wavenumbers (cm-1)

1500

1000

500

butanal

CH3

CH2

CH2

95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30

C-H

25
20

C=O

15
10
4000

3500

3000

2500

2000

1500

1000

500

Wavenumbers (cm-1)

butanoic acid

CH3

CH2

CH2

95
90
85
80
75
70
65

O-H

%T

60
55
50
45
40
35
30
25
20
15
10
4000

3500

3000

2500

2000

Wavenumbers (cm-1)

1500

1000

500

hex-2-ene

CH3

CH

CH

CH2

CH2

CH3

95
90
85
80
75
70
65

%T

60
55
50
45

C-H

C-H

40
35

C=C

30
25
20
15
10
4000

3500

3000

2500

2000

Wavenumbers (cm-1)

1500

1000

500

9
95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30
25
20
15
10
4000

3500

3000

2500

2000

Wavenumbers (cm-1)

1500

1000

500

10
95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30
25
20
15
10
4000

3500

3000

2500

2000

Wavenumbers (cm-1)

1500

1000

500

11
95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30
25
20
15
10
4000

3500

3000

2500

2000

Wavenumbers (cm-1)

1500

1000

500

F
95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30
25
20
15
10
4000

3500

3000

2500

2000

Wavenumbers (cm-1)

1500

1000

500

G
95
90
85
80
75
70
65

%T

60
55
50
45
40
35
30
25
20
15
10
4000

3500

3000

2500

2000

Wavenumbers (cm-1)

1500

1000

500