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Infrared Spectroscopy: Fundamentals and Applications 红外光谱基础与应用 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 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 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 4.11 Sulfur Compounds 85 4.12 Near-Infrared Spectra 86 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 6.5 Surfaces 130 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 8.3 Food Science 174 8.4 Agricultural Applications 178 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
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