Infrared Spectroscopy Fundamentals and Applications - Barbar Stuart.pdf

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Infrared Spectroscopy: Fundamentals and Applications
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Contents
Series Preface
ix
Preface
xi
Acronyms, Abbreviations and Symbols
xiii
About the Author
xvii
1 Introduction
1
1.1 Electromagnetic Radiation
2
1.2 Infrared Absorptions
5
1.3 Normal Modes of Vibration
6
1.4 Complicating Factors
11
1.4.1 Overtone and Combination Bands
11
1.4.2 Fermi Resonance
12
1.4.3 Coupling
12
1.4.4 Vibration – Rotation Bands
12
References
13
2 Experimental Methods
15
2.1 Introduction
15
2.2 Dispersive Infrared Spectrometers
16
2.3 Fourier-Transform Infrared Spectrometers
18
2.3.1 Michelson Interferometers
18
2.3.2 Sources and Detectors
19
2.3.3 Fourier-Transformation
20
2.3.4 Moving Mirrors
21
2.3.5 Signal-Averaging
22
vi
Infrared Spectroscopy: Fundamentals and Applications
2.3.6 Advantages
23
2.3.7 Computers
23
2.3.8 Spectra
24
2.4 Transmission Methods
25
2.4.1 Liquids and Solutions
25
2.4.2 Solids
28
2.4.3 Gases
31
2.4.4 Pathlength Calibration
32
2.5 Reflectance Methods
33
2.5.1 Attenuated Total Reflectance Spectroscopy
33
2.5.2 Specular Reflectance Spectroscopy
35
2.5.3 Diffuse Reflectance Spectroscopy
36
2.5.4 Photoacoustic Spectroscopy
37
2.6 Microsampling Methods
38
2.7 Chromatography – Infrared Spectroscopy
41
2.8 Thermal Analysis – Infrared Spectroscopy
42
2.9 Other Techniques
43
References
44
3 Spectral Analysis
45
3.1 Introduction
45
3.2 Group Frequencies
46
3.2.1 Mid-Infrared Region
46
3.2.2 Near-Infrared Region
47
3.2.3 Far-Infrared Region
48
3.3 Identification
48
3.4 Hydrogen Bonding
49
3.5 Spectrum Manipulation
51
3.5.1 Baseline Correction
51
3.5.2 Smoothing
51
3.5.3 Difference Spectra
52
3.5.4 Derivatives
53
3.5.5 Deconvolution
54
3.5.6 Curve-Fitting
56
3.6 Concentration
57
3.7 Simple Quantitative Analysis
59
3.7.1 Analysis of Liquid Samples
59
3.7.2 Analysis of Solid Samples
62
3.8 Multi-Component Analysis
63
3.9 Calibration Methods
67
References
70
Contents
vii
4 Organic Molecules
71
4.1 Introduction
71
4.2 Aliphatic Hydrocarbons
71
4.3 Aromatic Compounds
74
4.4 Oxygen-Containing Compounds
76
4.4.1 Alcohols and Phenols
76
4.4.2 Ethers
76
4.4.3 Aldehydes and Ketones
76
4.4.4 Esters
78
4.4.5 Carboxylic Acids and Anhydrides
79
4.5 Nitrogen-Containing Compounds
80
4.5.1 Amines
80
4.5.2 Amides
80
4.6 Halogen-Containing Compounds
82
4.7 Heterocyclic Compounds
83
4.8 Boron Compounds
83
4.9 Silicon Compounds
83
4.10 Phosphorus Compounds
84
4.12 Near-Infrared Spectra
85
4.13 Identification
88
References
93
5 Inorganic Molecules
95
5.1 Introduction
95
5.2 General Considerations
96
5.3 Normal Modes of Vibration
98
5.4 Coordination Compounds
102
5.5 Isomerism
104
5.6 Metal Carbonyls
105
5.7 Organometallic Compounds
107
5.8 Minerals
107
References
110
6 Polymers
113
6.1 Introduction
113
6.2 Identification
114
6.3 Polymerization
123
6.4 Structure
124
4.11 Sulfur Compounds
86
6.5 Surfaces
130
viii
Infrared Spectroscopy: Fundamentals and Applications
6.6 Degradation
132
References
135
7 Biological Applications
137
7.1 Introduction
137
7.2 Lipids
138
7.3 Proteins and Peptides
141
7.4 Nucleic Acids
151
7.5 Disease Diagnosis
152
7.6 Microbial Cells
155
7.7 Plants
158
7.8 Clinical Chemistry
161
References
163
8 Industrial and Environmental Applications
167
8.1 Introduction
167
8.2 Pharmaceutical Applications
168
8.4 Agricultural Applications
174
8.5 Pulp and Paper Industries
179
8.6 Paint Industry
180
8.7 Environmental Applications
183
References
185
Responses to Self-Assessment Questions
187
Bibliography
205
Glossary of Terms
211
SI Units and Physical Constants
215
Periodic Table
219
Index
221
8.3 Food Science
178

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