Vibrational Intensities

1. Absorption of Infrared Radiation by Molecules. Theoretical considerations. Selection rules for infrared absorption. Experimental determination of infrared intensities. 2. Coordinates in Vibrational Analysis.3. Semi–Classical Models of Infrared Intensities. Introduction. Rotational corrections to dipole moment derivatives. The bond moment model. 4. Molecular Dipole Moment Derivatives as Infrared Intensity Parameters. Atomic polar tensors (APT). Bond charge tensors. Bond polar parameters. Effective bond charges from rotation–free atomic polar tensors. 5. Relationship between Infrared Intensity Formulations 6. Parametric Formulations of Infrared Absorption Intensities of Overtone and Combination Bands. Introduction. Anharmonic vibrational transition moment. The charge flow model. The bond moment model. 7. Ab Initio Mo Calculations of Infrared Intensities. Introduction. Computational methods. Calculated infrared intensities. Conclusions. 8. Intensities in Raman Spectroscopy. Molecular polarizability. Intensity of Raman line. Raman intensities and molecular symmetry. Resonance Raman effect. Experimental determination of Raman intensities. 9. Parametric Models for Interpreting Raman Intensities. Rotational corrections to polarizability derivatives. Valence–optical theory of Raman intensities. Atom dipole interaction model (ADIM). Atomic polarizability tensor formulation (APZT). Relationship between atomic polarizability tensors and valence optical formulations of Raman intensities. Effective induced bond charges from atomic polarizability tensors. 10. Ab Initio Calculations of Raman Intensities. Computational Methods. Calculated Raman intensities. References. Author index. Subject index.