Smith B. Infrared spectral interpretation: a systematic approach (Boca Raton, 1999). - ОГЛАВЛЕНИЕ / CONTENTS
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ОбложкаSmith B. Infrared spectral interpretation: a systematic approach. - Boca Raton: CRC, 1999. - 265 p. - ISBN 0-8493-2463-7
 

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


 
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