Raman Spectroscopy: An Intensity Approach

by Guozhen Wu

Overview

This book summarizes the highlights of our work on the bond polarizability approach to the intensity analysis. The topics covered include surface enhanced Raman scattering, Raman excited virtual states and Raman optical activity (ROA). The first chapter briefly introduces the Raman effect in a succinct but clear way. Chapter 2 deals with the normal mode analysis. This is a basic tool for our work. Chapter 3 introduces our proposed algorithm for the Raman intensity analysis. Chapter 4 heavily introduces the physical picture of Raman virtual states. Chapter 5 offers details so that the readers can have a comprehensive idea of Raman virtual states. Chapter 6 demonstrates how this bond polarizability algorithm is extended to ROA intensity analysis. Chapters 7 and 8 offer details on ROA, showing many findings on ROA mechanism that were not known or neglected before. Chapter 9 introduces our proposed classical treatment on ROA which, as combined with the results from the bond polarizability analysis, leads to a comprehensive physical picture for the Raman effect. In particular, this classical treatment unifies ROA and VCD (vibrational circular dichroism) on equal footing. In each section, Comments summarize the key ideas and their evaluation. This will help the readers to capture the core ideas of the presentations.

Product Details

ISBN-13:	9789813143494
Publisher:	World Scientific Publishing Company, Incorporated
Publication date:	10/03/2016
Pages:	224
Product dimensions:	6.10(w) x 9.10(h) x 0.70(d)

Table of Contents

Preface v

Chapter 1 Raman effect 1

1.1 Basics: the Raman virtual state 1

1.2 The classical treatment 3

1.3 The quantal treatment 5

1.4 Theory of bond polarizability by Wolkenstein 7

References 8

Chapter 2 Normal mode vibration 9

2.1 Born-Oppenheimer approximation 9

2.2 Normal mode 10

2.3 Normal coordinates 12

2.4 Generalized coordinates and normal mode analysis 14

2.5 Some useful relations among different coordinates 17

References 19

Chapter 3 The elucidation of bond polarizabitities 20

3.1 Raman intensity in the temporal domain 20

3.2 The elucidation of bond polarizabilities 20

3.3 The phase problem 24

3.4 More on the coordinate choices 25

3.5 The intensity measurement 28

3.6 The comparison to the bond electronic density 28

References 29

Chapter 4 The Raman virtual states 30

4.1 The case of 2-aminopyridine 30

4.2 More with the case of 3-aminopyridine 34

4.3 The case of ethylene thiourea 44

4.4 The case of ethylene thiourea adsorbed on the silver electrode 51

References 62

Chapter 5 More applications 63

5.1 The case of methylviologen and its adsorption on the silver electrode 63

5.2 The case of pyridine and its adsorption on the silver electrode 76

5.3 The case of piperidine and its adsorption on the silver electrode 85

5.4 The case of pyridazine and its adsorption on the silver electrode 97

References 107

Chapter 6 The extension to Raman optical activity 108

6.1 Raman optical activity 108

6.2 The differential bond polarizability 109

6.3 The case of ( + )-(R)-methyloxirane 111

6.4 The case of L-alanine 124

6.5 The case of (S)-phenylethylamine 130

6.6 The case of trans-2, 3-epoxybutane 138

References 147

Chapter 7 More applications on ROA 148

7.1 The case of (S)-2-amino-1-propanol 148

7.2 The case of (S)-1-amino-2-propanol 155

7.3 The case of (2R, 3R)-(-)-2, 3-Butanediol 164

References 173

Chapter 8 Intramolecular enantiomerism 174

8.1 Background 174

8.2 The case of (R)-(+)-Limonene 175

8.3 The case of (S)-(+)-2, 2-dimethyl-1, 3-dioxolane-4-methanol 184

8.4 More cases for intramolecular enantiomerism 191

Chapter 9 A unified classical theory for ROA and VCD 196

9.1 Background 196

9.2 The classical algorithm 197

9.3 The charge re-distribution in the Raman excited virtual state 199

9.4 The ROA application on (+)-(R)-methyloxirane 201

9.5 The VCD application 204

References 206

Appendix A One way to find out the bending coordinates that are more coupled to the stretching coordinates 207

Appendix B References for the work on Raman and ROA intensities 209