The Extended-Hückel perturbation theory and the concept of orbital balance

The Hückel perturbation molecular orbital theory is briefly discussed with particular reference to the importance of π-complexes and orbital following. A consideration of Extended-Hückel perturbation theory leads to a general concept termed orbital balance, which is based on the relative magnitude o...

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Bibliographic Details
Published in:Journal of molecular structure. Theochem 1992-07, Vol.261, p.91-112
Main Author: Hudson, R.F.
Format: Article
Language:English
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Summary:The Hückel perturbation molecular orbital theory is briefly discussed with particular reference to the importance of π-complexes and orbital following. A consideration of Extended-Hückel 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 E 1 CB elimination process. The limitations of this approach are also discussed.
ISSN:0166-1280
1872-7999
DOI:10.1016/0166-1280(92)87068-B