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Advanced Structural Inorganic Chemistry$
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Wai-Kee Li, Gong-Du Zhou, and Thomas Mak

Print publication date: 2008

Print ISBN-13: 9780199216949

Published to Oxford Scholarship Online: May 2008

DOI: 10.1093/acprof:oso/9780199216949.001.0001

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Application of Group Theory to Molecular Systems

Application of Group Theory to Molecular Systems

Chapter:
(p.213) 7 Application of Group Theory to Molecular Systems
Source:
Advanced Structural Inorganic Chemistry
Author(s):

Wai-Kee Li

Gong-Du Zhou

Thomas Chung Wai Mak

Publisher:
Oxford University Press
DOI:10.1093/acprof:oso/9780199216949.003.0007

This chapter applies the group theoretic technique introduced in Chapter 6 to a number of chemically interesting problems. These problems include molecular orbital treatment of AH n (n = 2-6) molecules and cyclic conjugated polyenes (with and without d-orbital participation), construction of hybrid orbitals, relationship between molecular orbital and hybridization theories, molecular vibrations, etc. A large number of worked examples have been selected to illustrate that group theory can be used to simplify the physical problem and yield solutions of chemical significance. The advantage of this method becomes more obvious when the symmetry of the chemical system increases. Indeed, for highly symmetric molecules, very complex problems can have simple and elegant solutions. Even for less symmetric systems, symmetry arguments can still lead to meaningful results and conclusions that cannot be easily obtained otherwise.

Keywords:   carbonyl stretching modes, cyclic conjugated polyenes, hybridization schemes, infrared activity, molecular orbital theory, molecular vibrations, normal modes, Raman activity, rule of mutual exclusion, vibrational spectra

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