This unique book stands as the only comprehensive introduction to vibrationaloptical activity (VOA) and is the first single book that serves as a completereference for this relatively new, but increasingly important area of molecular spectroscopy. Key features: A single-source reference on this topic that introduces, describes the background and foundation of this area of spectroscopy. Serves as a guide on how to use it to carry out applications with relevant problem solving. Depth and breadth of the subject is presented in a logical, complete and progressive fashion. Although intended as an introductory text, this book provides in depth coverage of this topic relevant to both students and professionals by taking the reader from basic theory through to practical and instrumental approaches. INDICE: Preface Chapter 1 Overview of Vibrational Optical Activity 1.1 Introduction and Definition of Vibrational Optical Activity 1.2 Origin and Discovery of Vibrational Optical Activity 1.3 VCD Instrumentation Development 1.4 ROA Instrumentation Development 1.5 Development of VCD Theory and Calculations 1.6 Development of ROA Theory and Calculations 1.7 Applications of Vibrational Optical Activity 1.8 Comparison of Infrared and Raman Vibrational Optical Activity1.9 ConclusionsReferences Chapter 2 Vibrational Frequencies and Intensities 2.1 Separation of Electronic and Vibrational Motion 2.2 Normal Modes of Vibrational Motion 2.3 Infrared Vibrational Absorption Intensities 2.4 VibrationalRaman Scattering Intensities References Chapter 3 Molecular Chirality and Optical Activity 3.1 Definition of Molecular Chirality 3.2 Fundamental Principlesof Natural Optical Activity3.3 Classical Forms of Optical Activity3.4 Newer Forms of Optical ActivityReferences Chapter 4 Theory of Vibrational Circular Dichroism 4.1 General Theory of VCD 4.2 Formulations of VCD Theory 4.3 Atomic Orbital Level Formulations of VCD Intensity 4.4 Transition Current Density and Vibrational Intensities References Chapter 5 Theory of Raman Optical Activity 5.1 Comparison of ROA to VCD Theory5.2 Far-From Resonance Theory (FFR) of ROA5.3 General Unrestricted (GU) Theory of ROA 5.4 Vibronic Theories of ROA 5.5 Resonance ROA Theory References Chapter 6 Instrumentation for Vibrational Circular Dichroism 6.1 Polarization Modulation Circular Dichroism 6.2 Stokes-Mueller Optical Analysis 6.3 Fourier Transform VCD Measurement 6.4 Commercial Instrumentation for VCD Measurement 6.5 Advanced VCD Instrumentation References Chapter 7 Instrumentation for Raman Optical Activity 7.1 Incident Circular Polarization ROA 7.2 Scattered Circular Polarization ROA 7.3 Dual Circular PolarizationROA 7.4 Commercial Instrumentation for ROA Measurement 7.5 Advanced ROA InstrumentationReferences Chapter 8 Measurement of Vibrational Optical Activity 8.1VOA Spectral Measurement 8.2 Measurement of IR and VCD Spectra 8.3 Measurement of Raman and ROA SpectraReferences Chapter 9 Calculation of Vibrational Optical Activity 9.1 Quantum Chemistry Formulations of VOA 9.2 Fundamental Steps of VOA Calculations 9.3 Methods and Visualization of VOA Calculations 9.4 Calculation of Electronic Optical ActivityReferences Chapter 10 Applications of Vibrational Optical Activity 10.1 Classes of Chiral Molecules 10.2 Determination of Absolute Configuration 10.3 Determination of Enantiomeric Excess and Reaction Monitoring 10.4 Biological Applications of VOA 10.5 Future Applications of VOA References Appendices Appendix A Models of VA and VCD IntensityA.1 Estimate of CD Intensity Relative to Absorption IntensityA.2 Degenerate Coupled Oscillator Model of Circular DichroismA.3 Fixed Partial Charge Model of VCDA.4 Localized Molecular Orbital Model of VCDA.5 Ring Current Model and Other Vibrational Electronic Current ModelsA.6 Two-Group and
- ISBN: 978-0-470-03248-0
- Editorial: John Wiley & Sons
- Encuadernacion: Cartoné
- Páginas: 368
- Fecha Publicación: 19/08/2011
- Nº Volúmenes: 1
- Idioma: Inglés