{"product_id":"vibrational-optical-activity-isbn-9780470032480","title":"Vibrational Optical Activity","description":"This unique book stands as the only comprehensive introduction to vibrational optical activity (VOA) and is the first single book that serves as a complete reference for this relatively new, but increasingly important area of molecular spectroscopy.  \u003cp\u003eKey features:\u003c\/p\u003e \u003cul\u003e \u003cli\u003eA single-source reference on this topic that introduces, describes the background and foundation of this area of spectroscopy.\u003c\/li\u003e \u003cli\u003eServes as a guide on how to use it to carry out applications with relevant problem solving.\u003c\/li\u003e \u003cli\u003eDepth and breadth of the subject is presented in a logical, complete and progressive fashion.\u003c\/li\u003e \u003c\/ul\u003e \u003cp\u003eAlthough 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.\u003c\/p\u003e  Preface xvii  \u003cp\u003e\u003cb\u003e1 Overview of Vibrational Optical Activity 1\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e1.1 Introduction to Vibrational Optical Activity 1\u003c\/p\u003e \u003cp\u003e1.2 Origin and Discovery of Vibrational Optical Activity 9\u003c\/p\u003e \u003cp\u003e1.3 VCD Instrumentation Development 14\u003c\/p\u003e \u003cp\u003e1.4 ROA Instrumentation Development 16\u003c\/p\u003e \u003cp\u003e1.5 Development of VCD Theory and Calculations 18\u003c\/p\u003e \u003cp\u003e1.6 Development of ROA Theory and Calculations 22\u003c\/p\u003e \u003cp\u003e1.7 Applications of Vibrational Optical Activity 25\u003c\/p\u003e \u003cp\u003e1.8 Comparison of Infrared and Raman Vibrational Optical Activity 28\u003c\/p\u003e \u003cp\u003e1.9 Conclusions 30\u003c\/p\u003e \u003cp\u003e\u003cb\u003e2 Vibrational Frequencies and Intensities 35\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e2.1 Separation of Electronic and Vibrational Motion 35\u003c\/p\u003e \u003cp\u003e2.2 Normal Modes of Vibrational Motion 41\u003c\/p\u003e \u003cp\u003e2.3 Infrared Vibrational Absorption Intensities 48\u003c\/p\u003e \u003cp\u003e2.4 Vibrational Raman Scattering Intensities 56\u003c\/p\u003e \u003cp\u003e\u003cb\u003e3 Molecular Chirality and Optical Activity 71\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e3.1 Definition of Molecular Chirality 71\u003c\/p\u003e \u003cp\u003e3.2 Fundamental Principles of Natural Optical Activity 76\u003c\/p\u003e \u003cp\u003e3.3 Classical Forms of Optical Activity 83\u003c\/p\u003e \u003cp\u003e3.4 Newer Forms of Optical Activity 88\u003c\/p\u003e \u003cp\u003e\u003cb\u003e4 Theory of Vibrational Circular Dichroism 95\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e4.1 General Theory of VCD 96\u003c\/p\u003e \u003cp\u003e4.2 Formulations of VCD Theory 108\u003c\/p\u003e \u003cp\u003e4.3 Atomic Orbital Level Formulations of VCD Intensity 114\u003c\/p\u003e \u003cp\u003e4.4 Transition Current Density and VCD Intensities 124\u003c\/p\u003e \u003cp\u003e\u003cb\u003e5 Theory of Raman Optical Activity 131\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e5.1 Comparison of ROA to VCD Theory 131\u003c\/p\u003e \u003cp\u003e5.2 Far-From Resonance Theory (FFR) of ROA 133\u003c\/p\u003e \u003cp\u003e5.3 General Unrestricted (GU) Theory of ROA 137\u003c\/p\u003e \u003cp\u003e5.4 Vibronic Theories of ROA 148\u003c\/p\u003e \u003cp\u003e5.5 Resonance ROA Theory 159\u003c\/p\u003e \u003cp\u003e\u003cb\u003e6 Instrumentation for Vibrational Circular Dichroism 169\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e6.1 Polarization Modulation Circular Dichroism 169\u003c\/p\u003e \u003cp\u003e6.2 Stokes–Mueller Optical Analysis 177\u003c\/p\u003e \u003cp\u003e6.3 Fourier Transform VCD Measurement 187\u003c\/p\u003e \u003cp\u003e6.4 Commercial Instrumentation for VCD Measurement 193\u003c\/p\u003e \u003cp\u003e6.5 Advanced VCD Instrumentation 194\u003c\/p\u003e \u003cp\u003e\u003cb\u003e7 Instrumentation for Raman Optical Activity 205\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e7.1 Incident Circular Polarization ROA 205\u003c\/p\u003e \u003cp\u003e7.2 Scattered Circular Polarization ROA 211\u003c\/p\u003e \u003cp\u003e7.3 Dual Circular Polarization ROA 215\u003c\/p\u003e \u003cp\u003e7.4 Commercial Instrumentation for ROA Measurement 222\u003c\/p\u003e \u003cp\u003e7.5 Advanced ROA Instrumentation 225\u003c\/p\u003e \u003cp\u003e\u003cb\u003e8 Measurement of Vibrational Optical Activity 233\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e8.1 VOA Spectral Measurement 233\u003c\/p\u003e \u003cp\u003e8.2 Measurement of IR and VCD Spectra 234\u003c\/p\u003e \u003cp\u003e8.3 Measurement of Raman and ROA Spectra 251\u003c\/p\u003e \u003cp\u003e\u003cb\u003e9 Calculation of Vibrational Optical Activity 261\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e9.1 Quantum Chemistry Formulations of VOA 261\u003c\/p\u003e \u003cp\u003e9.2 Fundamental Steps of VOA Calculations 274\u003c\/p\u003e \u003cp\u003e9.3 Methods and Visualization of VOA Calculations 282\u003c\/p\u003e \u003cp\u003e9.4 Calculation of Electronic Optical Activity 289\u003c\/p\u003e \u003cp\u003e\u003cb\u003e10 Applications of Vibrational Optical Activity 293\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e10.1 Classes of Chiral Molecules 293\u003c\/p\u003e \u003cp\u003e10.2 Determination of Absolute Configuration 296\u003c\/p\u003e \u003cp\u003e10.3 Determination of Enantiomeric Excess and Reaction Monitoring 302\u003c\/p\u003e \u003cp\u003e10.4 Biological Applications of VOA 307\u003c\/p\u003e \u003cp\u003e10.5 Future Applications of VOA 329\u003c\/p\u003e \u003cp\u003e\u003cb\u003eAppendices.\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e\u003cb\u003eA Models of VOA Intensity 335\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eA.1 Estimate of CD Intensity Relative to Absorption Intensity 335\u003c\/p\u003e \u003cp\u003eA.2 Degenerate Coupled Oscillator Model of Circular Dichroism 336\u003c\/p\u003e \u003cp\u003eA.3 Fixed Partial Charge Model of VCD 338\u003c\/p\u003e \u003cp\u003eA.4 Localized Molecular Orbital Model of VCD 340\u003c\/p\u003e \u003cp\u003eA.5 Ring Current Model and Other Vibrational Electronic Current Models 341\u003c\/p\u003e \u003cp\u003eA.6 Two-Group and Related Models of ROA 342\u003c\/p\u003e \u003cp\u003e\u003cb\u003eB Derivation of Probability and Current Densities from Multi-Electron Wavefunctions for Electronic and Vibrational Transitions 345\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eB.1 Transition Probability Density 345\u003c\/p\u003e \u003cp\u003eB.2 Transition Current Density 347\u003c\/p\u003e \u003cp\u003eB.3 Conservation of Transition Probability and Current Density 348\u003c\/p\u003e \u003cp\u003eB.4 Conservation Equation for Vibrational Transitions 349\u003c\/p\u003e \u003cp\u003e\u003cb\u003eC Theory of VCD for Molecules with Low-Lying Excited Electronic States 353\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eC.1 Background Theoretical Expressions 353\u003c\/p\u003e \u003cp\u003eC.2 Lowest-Order Vibronic Theory Including Low-Lying Electronic States 355\u003c\/p\u003e \u003cp\u003eC.3 Vibronic Energy Approximation 356\u003c\/p\u003e \u003cp\u003eC.4 Low-Lying Magnetic-Dipole-Allowed Excited Electronic States 360\u003c\/p\u003e \u003cp\u003e\u003cb\u003eD Magnetic VCD in Molecules with Non-Degenerate States 363\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eD.1 General Theory 363\u003c\/p\u003e \u003cp\u003eD.2 Combined Complete Adiabatic and Magnetic-Field Perturbation Formalism 364\u003c\/p\u003e \u003cp\u003eD.3 Vibronic Coupling B-Term Derivation 365\u003c\/p\u003e \u003cp\u003eD.4 MCD from Transition Metal Complexes with Low-Lying Electronic States 367\u003c\/p\u003e \u003cp\u003eReferences 368\u003c\/p\u003e \u003cp\u003eIndex 369\u003c\/p\u003e  \u003cp\u003e“In any case, once practicing something like the VOA, one should read the manual. And I can hardly imagine a better one than the book of Laurence Nafie.“  (\u003ci\u003eChirality\u003c\/i\u003e, 2012)\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cb\u003eLaurence Nafie\u003c\/b\u003e is Distinguished Professor Emeritus at Syracuse University where, as a faculty member since 1975, he has been a leading world authority on VOA.  He confirmed experimentally the first observation of infrared VCD, was the first to propose and measure Fourier transform VCD, and is the discoverer of several of the forms of ROA.  He has also contributed to the theoretical foundations of both VCD and ROA.  For nearly four decades, he has carried out research in the field of VOA and  in 1996 co-founded the company BioTools for the commercialization of advanced spectroscopic instrumentation, including VCD and ROA spectrometers and services.  He was also the founding Editor of the journal \u003ci\u003eBiospectroscopy\u003c\/i\u003e that subsequently merged with \u003ci\u003eBiopolymers\u003c\/i\u003e, and he is currently Editor-in-Chief of the \u003ci\u003eJournal of Raman Spectroscopy\u003c\/i\u003e.  Vibrational optical activity (VOA) is comprised of two closely related areas of molecular spectroscopy, infrared vibrational circular dichroism (VCD) and vibrational Raman optical activity (ROA). Both of these areas were discovered experimentally in the early 1970s and have since matured into a new field of science at the interface of vibrational spectroscopy and molecular chirality. Vibrational optical activity has come of age with the availability of commercial instruments and computational programs which now enable non-specialists to apply both infrared and Raman optical activity to a wide range of chemical and biomolecular problems.  \u003cp\u003eThis book will take the reader from the basic theory through the practical and instrumental approaches, providing a unified, comprehensive description to the field of VOA that gives both introductory and in-depth coverage to VCD and ROA. Applications include the analysis of all classes of chiral molecules, including organic and inorganic molecules, metal complexes, pharmaceutical and natural product molecules, and the full range of biological molecules such as amino acids, peptides, sugars, proteins, protein fibrils, carbohydrates, nucleic acids, viruses and bacteria.\u003c\/p\u003e \u003cp\u003eThis comprehensive volume will serve both as an introduction and complete reference for this relatively new, but increasingly important, area of molecular spectroscopy. Written in a thorough and progressive style, it will appeal to advanced undergraduates, graduates and research groups in academia as well as researchers and technicians in the pharmaceutical and biotechnology industries.\u003c\/p\u003e","brand":"Wiley","offers":[{"title":"Default Title","offer_id":47990452519141,"sku":"NP9780470032480","price":119.95,"currency_code":"USD","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/1842\/7735\/files\/9780470032480.jpg?v=1761787889","url":"https:\/\/k12savings.com\/es\/products\/vibrational-optical-activity-isbn-9780470032480","provider":"K12savings","version":"1.0","type":"link"}