PRACTICAL- EXERCISE 3- Interpretation of FTIR data

Introduction
FTIR which fully means Fourier Transforms Infrared Spectroscopy, is a very useful tool for
identification of materials down to the molecular level. Infrared spectroscopy is a very
extensive technique used in the broad range characterization of several material types.
Acquiring and infrared spectra is usually the first step in trying to get insight information as
to the chemical nature and structure of materials. The infrared spectrum of a material can be
considered a molecular fingerprint, which can be used to identify the specific chemical components.

Principle:
When infrared light encounters a material, some of it may be absorbed by the chemical bonds in the
material while the rest is transmitted. Each type of bond absorbs specific wavenumbers of infrared
light, hence permitting identification of functional groups within substances that contain these bonds.

Objectives:
1. To learn the principles of infrared (IR) spectroscopy.
2. To learn how to identify unknown substances using IR spectroscopy.

3. To identify the name of constituent materials of some preselected objects from their IR
spectrum.

Materials
- Infrared Spectra of the Materials (shall be provided)
- Some suggested structures labeled A through G
- Table containing Functional groups with associated wave numbers

1
 102
1017Cm-1
101

100

99

3025 Cm-1
98

2992 Cm-1 1740 Cm-1

97

96
1685Cm-1 1492Cm-1
%T

95

94

93
750 Cm-1
92

91

90

89
89
4000 3500 3000 2500 2000 1500 1000 700
cm-1

Figure: Infrared Spectra for the sample IR-TPA_104

2
 102
100

95

90
720.996 cm-1
85

80
1462.74 cm-1

75

70
%T

65

60

2848.95 cm-1
55
100
50
99 2916 cm-1
45
98

40
39 97
4000 3500 3000 2500 2000 1500 1000 700
96
cm-1

95

94
Figure: Infrared Spectra for the sample IR-
%T

93
TPA_107
92

91

90

89 3

88
87
4000 3500 3000 2500 2000 1500 1000 700
cm-1
 2509.9 cm-1 1335.5 cm-1

3431.71 cm-1
2848.35 cm-1
694 cm-1

635 cm-1
2968.87 cm-1

1739 cm-1 835 cm-1

103
100 960.09 cm-1
2916.81cm -1
1092.48 cm-1
90 1426cm-1 1249.65 cm-1

80

70
Figure: Infrared Spectra for the sample IR- TPA_114
60
%T

50

40 1580 cm-1

30 1462 cm-1
4
20

15
4000 3500 3000 2500 2000 1500 1000 700
cm-1
 727.996 cm-1
3431.7 cm-1
694 cm-1 or 635
3000 cm -1 2900 cm-1

874.56 cm-1

1014.37 cm-1

1730 cm-1
1118.08 cm-1

1270.47 cm-1

Figure: Infrared Spectra for the sample IR-TPA_110

5
SN Functional Group/ Wavenumber (cm-1) Functional Group/ bond Wavenumber (cm-1)
bond
1 C-Cl bond stretch 835 C-H aromatic stretch vibrations 3025
694
635
2 C-H bond stretch 2900 C-H stretch 2992 Questions 1: Given that the objects
3 CH2-Cl angle 1426 C=C , bending 1740 whose IR spectra are presented
deformation correspond to one of the following
4 CH3 group 1380 C-H aromatic bond vibrations 1492 structures (A to F) below. Fill the
deformation table
5 CH2 group 1335 C=C stretch 1885 or 1665
deformation
6 Cl-CH out of plane 1255 C-H bending 750
angular deformation
7 Cl-CH out of plane 960 C-H aromatic deformation 750
trans deformation
8 C=O group vibrations 1739 C=C aromatic 1580
in esters 1730
1741, 1744(saturated
aliphatic esters)
9 C=O 1730 C-O-C 1462
Stretch esters 1175
10 CH3 asymmetric 2960 C-H aliphatic 2900
stretch
11 CH2 asymmetric 2930 C-H asymmetric stretch 2916
stretch
12 CH3 symmetric 2872 C-H, symmetric stretch due to 2848
stretch CH3 methylene groups
13 CH2 symmetric 2855 C-H bends or deformation 1462
stretch for CH3
14 C-H aliphatic 2900 CH2 rock 720
15 C-O-C 1462
1175
SN Sample code Corresponding Chemical name of the Justifications for the choice

6
 Structure code material
1 TPA_104

2 TPA_107

3 TPA_110

4 TPA_114

Chemical Structures

7
 A C
B
D

F
E

Questions 2: What is the source/origin of the following materials TPA_104; TPA_107; TPA_110 and TPA_114?
Questions 3: How can we obtain IR spectra for the other materials not mentioned on the table?

8
Question 4: Name two other techniques that could be used to identify materials at the molecular level