Vibrational optical activity : principles and applications / Laurence A. Nafie.

Format:

Book

Author/Creator:

Nafie, Laurence A.

Language:

English

Subjects (All):

Vibrational spectra.

Physical Description:

1 online resource (400 p.)

Edition:

1st ed.

Place of Publication:

Chichester [England] ; Syracuse, N.Y. : Wiley, 2011.

Language Note:

English

Summary:

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

Contents:

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

Notes:

Description based upon print version of record.

Includes bibliographical references and index.

ISBN:

9786613177865

9781119977537

1119977533

9781283177863

1283177862

9781119976516

1119976510

9781119976509

1119976502

OCLC:

747411939