Vibrational Spectra of Benzene Derivatives - 1st Edition - ISBN: 9780127149509, 9780323150668

Vibrational Spectra of Benzene Derivatives

1st Edition

Authors: G Varsanyi
eBook ISBN: 9780323150668
Imprint: Academic Press
Published Date: 1st January 1969
Page Count: 430
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Vibrational Spectra of Benzene Derivatives specifically deals with the problems of the vibrational spectra of benzene and its derivatives. The book is divided into three chapters. Chapter 1 explains the concepts of the electronic and electronic-vibration spectra, vibrational spectra, and rotational spectra. Chapter 2 tackles the normal co-ordinate analysis of the benzene molecule; the force field of substituted benzene derivatives; and elementary problems of intensity analysis. Chapter 3 covers the normal vibrations of benzene and its derivatives, which include tangential vibrations; out-of-plane vibrations; and internal vibrations of substituent groups. The book also contains an appendix dedicated for the frequency region of different normal vibrations of benzene derivatives. The text is recommended for chemists who are intrigued with the problems related to the vibrational spectra of benzene derivatives and are in need of a reference book.

Table of Contents


1. Theoretical Bases For Molecular Spectroscopy

1.1 Electronic And Electronic-Vibration (Vibronic) Spectra

1.1.1 Wave Mechanical Interpretation Of Spectra

1.1.2 Symmetry Properties of Molecules And Electronic Functions

1.1.3 Vibronic Spectra

1.1.4 Vibronic Spectra of Benzene And Benzene Derivatives

1.2 Vibrational Spectra

1.2.1 Vibration of Polyatomic Molecules and the General Valence Force Field Method (GVFF)

1.2.2 Normal Vibrations and the Infrared Spectrum

1.2.3 Degenerate Vibrations

1.2.4 Raman Spectra

1.2.5 Determination of the Number of Normal Vibrations In A Given Symmetry Class

1.2.6 Isotope Effect

1.2.7 Comparative Table Including Symmetry Types of Normal Vibrations of Benzene and Its Derivatives

1.3 Rotational Spectra

1.3.1 Symmetrical Top Molecules

1.3.2 Asymmetric Top Molecules

2 Normal Co-Ordinate Analysis of Benzene and Its Derivatives

2.1 The Normal Co-Ordinate Analysis of the Benzene Molecule

2.1.1 The General Valence Force Field Method of Wilson

2.1.2 Force-Constant Calculation Method of Miller and Crawford

2.1.3 Force Field Calculations of Whiffen

2.1.4 New Methods in the Calculation of the Force Field of the Benzene Molecule

2.1.5 Calculation of the Force Field of the Benzene Molecule by Kovner

2.1.6 Force Constants For The Perpendicular Vibrations of Benzene

2.1.7 Calculation of the Benzene Force Field Using The Urey-Bradley Force Field (UBFF) Model According to Califano and Crawford

2.1.8 The Application of the UBFF for The Planar Vibrations of Benzene According to Scherer and Overend

2.1.9 General Survey of the Calculated Data According with Symmetry Species

2.2 Force Field of Substituted Benzene Derivatives

2.2.1 Calculation of the Force Field of Monosubstituted Benzene Derivatives

2.2.2 Calculation of the Normal Vibrations of p-Disubstituted Benzene Derivatives

2.2.3 Polysubstituted Benzenes

2.3 Elementary Problems of Intensity Analysis

2.3.1 Studies of the Infrared and Raman Intensity Data

3. Normal Vibrations of Benzene and Its Derivatives

3.1 Tangential Vibrations

3.1.1 Carbon-Carbon Stretching Vibrations

3.1.2 C—X In-Plane Bending Vibrations

3.1.3 Ch In-Plane Bending Vibrations

3.2 Radial Vibrations

3.2.1 Radial Skeletal Vibrations

3.2.2 Ch Stretching Vibrations

3.3 Out-Of-Plane Vibrations

3.3.1 Out-Of-Plane Skeletal Vibrations

3.3.2 Ch Out-Of-Plane Vibrations

3.4 Internal Vibrations of Substituent Groups

3.4.1 Substitutents with Carbon and Hydrogen

3.4.2 Substituents with Halogens

3.4.3 Substituents with Oxygen

3.4 4 Substituents with Nitrogen

3.4.5 Substituents with Other Heteroatoms


Frequency Regions of Different Normal Vibrations of Benzene Derivatives



Reading References


Author Index

Subject Index


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© Academic Press 1969
Academic Press
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About the Author

G Varsanyi

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