Preface |
Overview of Vibrational Optical Activity / 1: |
Introduction to Vibrational Optical Activity / 1.1: |
Origin and Discovery of Vibrational Optical Activity / 1.2: |
VCD Instrumentation Development / 1.3: |
ROA Instrumentation Development / 1.4: |
Development of VCD Theory and Calculations / 1.5: |
Development of ROA Theory and Calculations / 1.6: |
Applications of Vibrational Optical Activity / 1.7: |
Comparison of Infrared and Raman Vibrational Optical Activity / 1.8: |
Conclusions / 1.9: |
Vibrational Frequencies and Intensities / 2: |
Separation of Electronic and Vibrational Motion / 2.1: |
Normal Modes of Vibrational Motion / 2.2: |
Infrared Vibrational Absorption Intensities / 2.3: |
Vibrational Raman Scattering Intensities / 2.4: |
Molecular Chirality and Optical Activity / 3: |
Definition of Molecular Chirality / 3.1: |
Fundamental Principles of Natural Optical Activity / 3.2: |
Classical Forms of Optical Activity / 3.3: |
Newer Forms of Optical Activity / 3.4: |
Theory of Vibrational Circular Dichroism / 4: |
General Theory of VCD / 4.1: |
Formulations of VCD Theory / 4.2: |
Atomic Orbital Level Formulations of VCD Intensity / 4.3: |
Transition Current Density and VCD Intensities / 4.4: |
Theory of Raman Optical Activity / 5: |
Comparison of ROA to VCD Theory / 5.1: |
Far-From Resonance Theory (FFR) of ROA / 5.2: |
General Unrestricted (GU) Theory of ROA / 5.3: |
Vibronic Theories of ROA / 5.4: |
Resonance ROA Theory / 5.5: |
Instrumentation for Vibrational Circular Dichroism / 6: |
Polarization Modulation Circular Dichroism / 6.1: |
Stokes–Mueller Optical Analysis / 6.2: |
Fourier Transform VCD Measurement / 6.3: |
Commercial Instrumentation for VCD Measurement / 6.4: |
Advanced VCD Instrumentation / 6.5: |
Instrumentation for Raman Optical Activity / 7: |
Incident Circular Polarization ROA / 7.1: |
Scattered Circular Polarization ROA / 7.2: |
Dual Circular Polarization ROA / 7.3: |
Commercial Instrumentation for ROA Measurement / 7.4: |
Advanced ROA Instrumentation / 7.5: |
Measurement of Vibrational Optical Activity / 8: |
VOA Spectral Measurement / 8.1: |
Measurement of IR and VCD Spectra / 8.2: |
Measurement of Raman and ROA Spectra / 8.3: |
Calculation of Vibrational Optical Activity / 9: |
Quantum Chemistry Formulations of VOA / 9.1: |
Fundamental Steps of VOA Calculations / 9.2: |
Methods and Visualization of VOA Calculations / 9.3: |
Calculation of Electronic Optical Activity / 9.4: |
Classes of Chiral Molecules / 10: |
Determination of Absolute Configuration / 10.2: |
Determination of Enantiomeric Excess and Reaction Monitoring / 10.3: |
Biological Applications of VOA / 10.4: |
Future Applications of VOA / 10.5: |
Appendices |
Models of VOA Intensity / A: |
Estimate of CD Intensity Relative to Absorption Intensity / A.1: |
Degenerate Coupled Oscillator Model of Circular Dichroism / A.2: |
Fixed Partial Charge Model of VCD / A.3: |
Localized Molecular Orbital Model of VCD / A.4: |
Ring Current Model and Other Vibrational Electronic Current Models / A.5: |
Two-Group and Related Models of ROA / A.6: |
Derivation of Probability and Current Densities from Multi-Electron Wavefunctions for Electronic and Vibrational Transitions / B: |
Transition Probability Density / B.1: |
Transition Current Density / B.2: |
Conservation of Transition Probability and Current Density / B.3: |
Conservation Equation for Vibrational Transitions / B.4: |
Theory of VCD for Molecules with Low-Lying Excited Electronic States / C: |
Background Theoretical Expressions / C.1: |
Lowest-Order Vibronic Theory Including Low-Lying Electronic States / C.2: |
Vibronic Energy Approximation / C.3: |
Low-Lying Magnetic-Dipole-Allowed Excited Electronic States / C.4: |
Magnetic VCD in Molecules with Non-Degenerate States / D: |
General Theory / D.1: |
Combined Complete Adiabatic and Magnetic-Field Perturbation Formalism / D.2: |
Vibronic Coupling B-Term Derivation / D.3: |
MCD from Transition Metal Complexes with Low-Lying Electronic States / D.4: |
References |
Index |
Preface |
Overview of Vibrational Optical Activity / 1: |
Introduction to Vibrational Optical Activity / 1.1: |