The Extended-Huckel Perturbation-Theory and the Concept of Orbital Balance

Hudson, R.F. (1992) The Extended-Huckel Perturbation-Theory and the Concept of Orbital Balance. Theochem-Journal of Molecular Structure, 93 . pp. 91-112. ISSN 0166-1280. (The full text of this publication is not available from this repository)

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Abstract

The Huckel perturbation molecular orbital theory is briefly discussed with particular reference to the importance of pi-complexes and orbital following. A consideration of Extended-Huckel perturbation theory leads to a general concept termed orbital balance, which is based on the relative magnitude of the two-electron and four-electron terms. This concept is applied in a qualitative (or in special cases in a semi-quantitative) manner to molecular conformation, gas-phase acidities and nucleophilic substitution, and also to the E1 CB elimination process. The limitations of this approach are also discussed.

Item Type: Article
Subjects: Q Science > QD Chemistry
Divisions: Faculties > Science Technology and Medical Studies > School of Biosciences
Depositing User: P. Ogbuji
Date Deposited: 31 Aug 2009 08:46
Last Modified: 06 Oct 2009 07:50
Resource URI: http://kar.kent.ac.uk/id/eprint/22520 (The current URI for this page, for reference purposes)
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