Table of Contents

1 Introduction to Infrared Spectroscopy.- 1.1. Units.- 1.2. Regions of Electromagnetic Radiation.- 1.3. The Infrared Spectrum of a Compound.- 1.4. Atmospheric Absorptions.- 2 Instruments.- 2.1. Description.- 2.2. Operating Variables.- 2.2A. Resolution.- 2.2B. Photometric Accuracy.- 2.2C. Quantitative Relations Between Operating Variables.- 2.3. Components of Infrared Spectrophotometers.- 2.3A. Sources.- 2.3B. Photometers and Photometric Systems.- 2.3C. Dispersing Elements.- 2.3D. Detectors.- 2.3E. Amplifiers and Recorders.- 2.3F. Polarizers.- 2.4. Special Operating Features.- 2.4A. Variation of Basic System Parameters.- 2.4B. Variation of Recording Parameters.- 2.4C. Optimization of Scan Time.- 2.4D. Compensation for Nonprogrammed Energy Losses.- 2.5. Available Instruments and Their Specifications.- 2.6. The Computer Revolution.- References.- 3 Accessories.- 3.1. Crystals.- 3.2. Gas Cells.- 3.3. Liquid Cells.- 3.4. KBr-Pellet Accessories.- 3.5. Beam Condensers.- 3.6. Polarizers.- 3.7. Specular Reflectance.- 3.8. ATR.- 3.9. Miscellany.- References.- 4 Theoretical Considerations in Infrared Spectroscopy.- 4.1. Notation.- 4.2. Diatomic Molecules.- 4.2A. Absorption of Infrared Radiation.- 4.2B. Relationship Between Band Contours and Vibrational-Rotational Energy.- 4.2C. Mathematical Relations for Rotational and Vibrational Energy.- 4.2D. The Intensity Distribution of a Band.- 4.3. Polyatomic Molecules.- 4.3A. The Relationship Between Observed Absorption Bands and Motions of the Atoms in a Molecule.- 4.3B. The Relationship Between Dipole Moment Changes and Infrared Absorption Bands.- 4.3C. Vibrations for Molecules Containing Four or More Atoms.- 4.4. The Relationship Between Symmetry of Molecules and Observed Absorption Bands.- 4.4A. Introduction.- 4.4B. Point Symmetry and Point Groups.- 4.4C. Point Groups for Various Molecules.- 4.5. Character Tables and Types (Species) of Vibrations.- 4.5A. Species for Point Groups C1, C2, Cs, and Ci.- 4.5B. Species for Point Groups C2v, C2h, and D2.- 4.5C. Species of the C2h Point Group.- 4.5D. Species of Vibration for C3v and D3 Groups.- 4.5E. Species of Vibration for Other Cnv, Groups.- 4.5F. Species of Vibration of Other Groups.- 4.6. Molecules with Centers of Symmetry.- 4.7. Correlation of Species of Related Molecules.- 4.8. Calculation of Allowed Bands Using Group Theory.- 4.8A. Calculation of Allowed Fundamentals. The Character Table.- 4.8B. Calculation of the Allowed Combination Bands in the Infrared.- 4.8C. Calculation of the Allowed Overtone Bands in the Infrared.- 4.8D. Calculation of the Number of Allowed Infrared Fundamentals.- 4.9. Factors Influencing Band Positions and Band Contours in Polyatomic Molecules.- 4.9A. Fermi and Coriolis Perturbations.- 4.9B. Inversion Doubling.- 4.9C. Intensity Alternation of the Line Structure of Bands.- 4.9D. l-Type Doubling.- 4.10. Band Contours for Linear Molecules.- 4.11. The Method of Combination Differences Used to Obtain Rotational Constants of Diatomic and Linear Molecules.- 4.12. Vibrational-Rotational Energy Equations for the Symmetric Rotor.- 4.13. Analysis of the Ammonia Spectrum (Symmetric Rotor).- 4.14. Spherical Rotor Molecules.- 4.15. The Asymmetric Rotor.- 4.16. Spectral Analysis of Formaldehyde (Near Symmetric Rotor).- 4.16A. The 3-4 Region.- 4.16B. The 5.7 Region.- 4.16C. The 6-7 Region.- 4.16D. The 7.5-10 Region.- 4.17. Fundamental Frequencies of the Molecules CF2=CH2, CF2=CHD, and CF2=CD2.- 4.18. The Influence of Isotopic Substitution on Band Position.- 4.19. Conclusion.- References.- 5 The Use of Characteristic Group Frequencies in Structural Analysis.- 5.1. General Objectives.- 5.2. Definition of Group Frequencies.- 5.3. Group Frequencies and the Vibrational Analysis of a Molecule.- 5.3A. The Constancy of Spectral Positions of Group Frequencies.- 5.3B. Group Frequencies of M-H Structural Units.- 5.3C. Terminal Structural Groups such as C=O and Multiple-Bond Groups.- 5.3D. Group Frequencies of Units Where the Mass Factor Is Important.- 5.3E. Ring and Other Group Vibrations.- 5.3F. The Influence of Symmetry on Group Frequencies.- 5.3G. Summary.- 5.4. Group Frequencies of the CH3, CH2, and CH Structural Units.- 5.4A. Alkanes Containing the CH3 and CH2 Units.- 5.4B. Branched-Chain Hydrocarbons.- 5.4C. CH3 Groups Adjacent to Atoms Other than Saturated Carbon.- 5.4D. CH2 Groups Adjacent to Atoms Other than Saturated Carbon.- 5.4E. Saturated Ring Systems.- 5.4F. Groups Having Absorption Bands Which Interfere with Group Frequency Assignments of CH3 and CH2 Groups.- 5.4G. The Spectra of Compounds with CH3 and CH2 Groups.- 5.4H. CH3 and CH2 Group Frequencies in Alkenes.- 5.4I. CH3 and CH2 Group Frequencies in Aromatic Compounds.- 5.5. Group Frequencies Associated with Alkenes.- 5.5A. 1680-1580 cm?1 Region for Alkenes.- 5.5B. 970-660 cm?1 Region for Alkenes.- 5.5C. 3100-3000 cm?1 Region for the -C=C-H Group.- 5.5D. Interpretation of Spectra of Alkenes.- 5.6. Group Frequencies Associated with Alkynes.- 5.6A. Group Frequencies Associated with the Unit C=C-H.- 5.7. Characteristic Group Frequencies for Benzene Derivatives.- 5.7A. Aromatic CH Stretching Frequencies.- 5.7B. Benzene Ring Vibrations in the 2000-1660 cm?1 Region.- 5.7C. Aromatic Ring Frequencies in the 1600-1450 cm?1 Region.- 5.7D. Benzene Ring Vibrations in the 1225-950 cm?1 Region.- 5.7E. Group Frequencies of Benzene Derivatives in the 950-650 cm?1 Region.- 5.7F. Summary of Benzene Ring Group Frequencies.- 5.8. Vibrations of Pyridine and Its Derivatives.- 5.9. Group Frequencies Associated with the C=O Structural Unit.- 5.10. Group Frequencies Associated with the C-O-C and C-O-H Structural Units.- 5.11. Group Frequencies Associated with NH and CN Structural Units.- 5.12. Amide I Band.- 5.13. Amide II Band.- 5.14. Amide III, IV, V, and VI Bands.- 5.15. Group Frequencies for Fluorocarbons.- 5.16. Group Frequencies for the C=N, N=O, C?N, and Other Structural Units.- 5.17. Organic Molecules Coordinated to Inorganic Salts.- 5.18. Practice Interpretation of Spectra.- References.- 6 Quantitative Analysis.- 6.1. Beer's Law.- 6.2. Analysis of a Series of Samples.- 6.3. Multicomponent Analysis.- 6.4. Solid Samples.- 6.5. Gas Samples.- 6.6. "One-Time" Analysis.- 6.7. Sources of Error.- 6.8. Noninterchangeability of Data.- 6.9. Measuring Absorbance.- 6.10. Accuracy.- 6.11. Other Techniques.- 6.12. Literature.- Reference.- 7 Sample-Handling Techniques.- 7.1. Gases.- 7.2. Liquids.- 7.3. Solids.- 7.4. Miscellany.- 7.5. Microsampling.- 7.6. Conclusions.- References.- 8 Spectra and Reference Library.- 8.1. General References to Infrared Spectroscopy.- 8.2. Government Publications.- 8.3. House Organs of Various Companies and Laboratories.- 8.4. Reference Spectrograms and Spectral Retrieval Systems.- 8.5. Abstracting Services and Bibliographies.- Appendixes.- Appendix 1. Additional References.- Appendix 2. Character Tables of the Most Important Point Groups.

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