Vibrational optical activity [[electronic resource] ] : principles and applications / / Laurence A. Nafie

• Autore: Nafie Laurence A
• Pubblicazione: Chichester [England] ; ; Syracuse, N.Y., : Wiley, 2011
• Descrizione fisica: 1 online resource (400 p.)
• Disciplina: 539.6
• Soggetto topico: Vibrational spectra
• Note generali: Description based upon print version of record.
• Nota di bibliografia: Includes bibliographical references and index.
• Nota di contenuto: VIBRATIONAL OPTICAL ACTIVITY: Principles and Applications; Contents; Preface; 1 Overview of Vibrational Optical Activity; 1.1 Introduction to Vibrational Optical Activity; 1.1.1 Field of Vibrational Optical Activity; 1.1.2 Definition of Vibrational Circular Dichroism; 1.1.3 Definition of Vibrational Raman Optical Activity; 1.1.4 Unique Attributes of Vibrational Optical Activity; 1.1.4.1 VOA is the Richest Structural Probe of Molecular Chirality; 1.1.4.2 VOA is the Most Structurally Sensitive Form of Vibrational Spectroscopy ; 1.1.4.3 VOA Can be Used to Determine Unambiguously the Absolute Configuration of a Chiral Molecule1.1.4.4 VOA Spectra Can be Used to Determine the Solution-State Conformer Populations; 1.1.4.5 VOA Can be Used to Determine the ee of Multiple Chiral Species of Changing Absolute and Relative Concentration; 1.2 Origin and Discovery of Vibrational Optical Activity; 1.2.1 Early Attempts to Measure VOA; 1.2.2 Theoretical Predictions of VCD; 1.2.3 Theoretical Predictions of ROA; 1.2.4 Discovery and Confirmation of ROA; 1.2.5 Discovery and Confirmation of VCD; 1.3 VCD Instrumentation Development ; 1.3.1 First VCD Measurements - Dispersive, Hydrogen-Stretching Region1.3.2 Near-IR VCD Measurements; 1.3.3 Mid-IR VCD Measurements; 1.3.4 Fourier Transform VCD Instrumentation; 1.3.5 Commercially Available VCD Instrumentation; 1.4 ROA Instrumentation Development; 1.4.1 First ROA Measurements - Single Channel ICP-ROA; 1.4.2 Multi-Channel ROA Measurements; 1.4.3 Backscattering ROA Measurements; 1.4.4 SCP-ROA Measurements; 1.4.5 DCP-ROA Measurements; 1.4.6 Commercially Available ROA Instruments; 1.5 Development of VCD Theory and Calculations; 1.5.1 Models of VCD Spectra ; 1.5.1.1 Coupled Oscillator Model1.5.1.2 Fixed Partial Charge Model; 1.5.1.3 Localized Molecular Orbital Model; 1.5.1.4 Charge Flow Model; 1.5.1.5 Ring Current Model; 1.5.2 Vibronic Coupling Theory of VCD; 1.5.3 Magnetic Field Perturbation Formulation of VCD; 1.5.4 Nuclear Velocity Perturbation Formulation of VCD; 1.5.5 Ab Initio Calculations of VCD Spectra; 1.5.6 Commercially Available Software for VCD Calculations; 1.6 Development of ROA Theory and Calculations; 1.6.1 Original Theory of ROA; 1.6.2 Models of ROA Spectra; 1.6.3 General Unrestricted Theory of Circular Polarization ROA ; 1.6.4 Linear Polarization ROA1.6.5 Theory of Resonance ROA in the SES Limit; 1.6.6 Near Resonance Theory of ROA; 1.6.7 Ab Initio Calculations of ROA Spectra; 1.6.8 Quantum Chemistry Programs for ROA Calculations; 1.7 Applications of Vibrational Optical Activity; 1.7.1 Biological Applications of VOA; 1.7.2 Absolute Configuration Determination; 1.7.3 Solution-State Conformation Determination; 1.7.4 Enantiomeric Excess and Reaction Monitoring; 1.7.5 Applications with Solid-Phase Sampling; 1.8 Comparison of Infrared and Raman Vibrational Optical Activity ; 1.8.1 Frequency Ranges and Structural Sensitivities
• Sommario/riassunto: 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. 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. A
• Titolo autorizzato: Vibrational optical activity
• ISBN: 1-119-97753-3; 1-283-17786-2; 9786613177865; 1-119-97651-0; 1-119-97650-2
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Inglese
• Record Nr.: 9910139626003321
• Lo trovi qui: Univ. Federico II