Smith B. Infrared spectral interpretation: a systematic approach. - Boca Raton: CRC, 1999. - 265 p. - ISBN 0-8493-2463-7  Место хранения:   068 | Институт проблем химико - энергетических технологий CO РАН | Томск | Контактная информация о библиотеке

Оглавление / Contents

Chapter 1 The Basics of Infrared Interpretation ................ 1 I. Introduction A. The Advantages of Infrared Spectroscopy ................. 1 B. The Disadvantages of Infrared Spectroscopy .............. 2 II. The Basics of Infrared Absorbance A. The Properties of Light ................................. 2 B. What is an Infrared Spectrum? ........................... 5 C. The Nature of Molecular Vibrations: Normal Modes ........ 7 III. How Molecules Absorb Infrared Radiation A. The First Necessary Condition for Infrared Absorption .............................................. 7 B. The Second Necessary Condition for Infrared Absorption ............................................. 12 IV. The Origin of Infrared Peak Positions, Intensities, and Widths A. Peak Positions ......................................... 15 1. The Harmonic Oscillator Model of Molecular Vibrations .......................................... 15 2. Real World Molecules: Anharmonic Vibrations ......... 17 B. The Origin of Peak Intensities ......................... 18 C. The Origin of Peak Widths .............................. 19 D. The Origin of Group Wavenumbers ........................ 24 V. Infrared Spectral Interpretation: A Systematic Approach A. Dealing With Mixtures .................................. 25 B. Properly Performing Identities ......................... 26 C. Infrared Spectral Interpretation: A 10-Step Approach ... 27 VI. Conclusion ................................................ 29 Bibliography ................................................... 29 Chapter 2 Hydrocarbons ........................................ 31 I. Alkanes A. Structure and Nomenclature ............................. 31 B. The Infrared Spectra of Straight Chain Alkanes 1. C-H Stretching Vibrations ........................... 32 2. C-H Bending Vibrations .............................. 35 3. Estimating Hydrocarbon Chain Length from Infrared Spectra ............................................. 36 C. The Infrared Spectra of Branched Alkanes 1. Structure and Nomenclature .......................... 38 2. Spectra of Branched Chain Alkanes ................... 40 II. Alkenes A. Structure and Nomenclature ............................. 43 B. The Infrared Spectra of Alkenes 1. C-H Stretching ...................................... 43 2. C=C Stretching ...................................... 45 3. C-H Bending ......................................... 45 III. Alkynes A. Structure and Nomenclature ............................. 47 B. Infrared Spectra of Alkynes ............................ 47 IV. Aromatic Hydrocarbons A. Structure and Nomenclature ............................. 49 B. The Infrared Spectra of Aromatic Molecules 1. Overview: The Infrared Spectrum of Benzene .......... 50 2. The Infrared Spectra of Mono- and Disubstituted Benzene Rings ....................................... 52 3. Methyl Groups Attached to Benzene Rings ............. 54 Bibliography ................................................... 58 Problem Spectra ................................................ 58 Chapter 3 Functional Groups Containing the C-O Bond ............ 67 I. Alcohols and Phenols A. Structure and Nomenclature ............................. 67 B. The Infrared Spectra of Alcohols: The Effects of Hydrogen Bonding ....................................... 68 C. The Infrared Spectra of Saturated Alcohols ............. 70 D. The Infrared Spectra of Aromatic Alcohols: Phenols ..... 72 E. Distinguishing Alcohols from Water ..................... 75 II. Ethers A. Structure and Nomenclature ............................. 75 B. The Infrared Spectra of Ethers ......................... 76 C. Saturated Ethers ....................................... 76 D. The Infrared Spectra of Aromatic Ethers ................ 78 E. CH3 and CH2 Groups Attached to an Oxygen ................ 78 Bibliography ................................................... 81 Problem Spectra ................................................ 81 Chapter 4 The Carbonyl Functional Group I. Introduction .............................................. 91 II. Ketones A. Structure and Nomenclature ............................. 92 B. The Infrared Spectra of Ketones ........................ 93 III. Aldehydes A. Structure and Nomenclature ............................. 96 B. The Infrared Spectroscopy of Aldehydes ................. 96 IV. Carboxylic Acids and Their Derivatives A. Carboxylic Acids ....................................... 98 1. Structure and Nomenclature .......................... 98 2. The Infrared Spectra of Carboxylic Acids ............ 99 B. Carboxylic Acid Salts: Carboxylates 1. Structure and Nomenclature ......................... 103 2. The Infrared Spectra of Carboxylates ............... 103 C. Acid Anhydrides 1. Structure and Nomenclature ......................... 105 2. Infrared Spectroscopy of Acid Anhydrides ........... 105 V. Esters A. Structure and Nomenclature ............................ 108 B. The Infrared Spectra of Esters: The Rule of Three ..... 108 C. Saturated Esters ...................................... 109 D. Aromatic Esters ....................................... 112 VI. Organic Carbonates A. Structure and Nomenclature ............................ 112 B. The Infrared Spectra of Organic Carbonates ............ 114 VII. Summary .................................................. 114 Bibliography .................................................. 115 Problem Spectra ............................................... 115 Chapter 5 Organic Nitrogen Compounds I. Introduction ............................................. 125 II. Amides A. Structure and Nomenclature ............................ 125 B. The Infrared Spectra of Primary, Secondary, and Tertiary Amides 1. Primary Amides ..................................... 128 2. Secondary Amides ................................... 128 3. Tertiary Amides .................................... 130 4. Proteins ........................................... 132 III. Imides A. Structure and Nomenclature ............................ 132 B. The Spectroscopy of Imides ............................ 133 IV. Amines A. Structure and Nomenclature ............................ 135 B. The Infrared Spectra of Primary, Secondary, and Tertiary Amines 1. Primary Amines ..................................... 136 2. Secondary Amines ................................... 138 3. Tertiary Amines .................................... 140 4. Methyl Groups Attached to an Amine Nitrogen ........ 140 V. Nitriles: The C≡N Bond A. Structure and Nomenclature ............................ 141 B. Spectroscopy of the C≡N Bond .......................... 141 VI. The Nitro Group A. Structure and Nomenclature ............................ 143 B. The Spectroscopy of the NO2 Group ..................... 144 Bibliography .................................................. 146 Problem Spectra ............................................... 146 Chapter 6 Organic Compounds Containing Sulfur, Silicon, and Halogens I. Organic Sulfur Compounds ................................. 153 A. Thiols (Mercaptans) 1. Structure and Nomenclature ......................... 153 2. Infrared Spectra of Thiols ......................... 155 B. Molecules Containing Sulfur/Oxygen Bonds 1. Structure and Nomenclature ......................... 155 2. Spectra of Compounds Containing One S=0 Bond ....... 156 3. Spectra of Compounds with Two S=0 Bonds ............ 158 II. Organic Silicon Compounds A. Structure and Nomenclature of Siloxanes (Silicones) ... 158 B. Spectra of Siloxanes .................................. 160 III. Halogenated Organic Compounds ............................ 160 Bibliography .................................................. 163 Chapter 7 Inorganic Compounds I. Introduction ............................................. 165 II. Inorganic Sulfates ....................................... 168 III. Silica ................................................... 168 IV. Inorganic Carbonates ..................................... 171 V. Nitrates ................................................. 171 VI. Phosphates ............................................... 173 Bibliography .................................................. 175 Chapter 8 Infrared Spectra of Polymers I. Introduction ............................................. 177 II. Recyclable Plastics ...................................... 175 A. Low Density and High Density Polyethylene ............. 177 B. Polypropylene ......................................... 180 C. Polystyrene ........................................... 180 D. Polyethylene Terephthalate ............................ 184 III. Engineering Plastics A. Polyamides ............................................ 184 B. Acrylates ............................................. 184 C. Diisocyanates and Polyurethanes ....................... 187 D. Polycarbonates ........................................ 190 E. Polyimides ............................................ 190 F. Polytetrafluoroethylene ............................... 190 Bibliography .................................................. 194 Chapter 9 Spectral Interpretation Aids I. Spectral Atlases ......................................... 195 II. Spectral Subtraction ..................................... 196 A. Optimizing the Subtraction Factor ..................... 196 B. Subtraction Artifacts ................................. 198 III. Spectral Library Searching ............................... 199 A. Search Algorithms ..................................... 201 B. Interpreting Search Results ........................... 201 C. Subtract and Search Again ............................. 202 IV. Infrared Interpretation Software Packages ................ 204 V. Infrared Interpretation and the Internet ................. 204 Bibliography .................................................. 205 Appendix I Answers to Problem Spectra ........................ 207 Appendix II Group Wavenumber Tables .......................... 243 Glossary ...................................................... 251 Index ......................................................... 259