Jug, Karl ; Gopinathan, M. S. (1985) Valency changes in chemical reactions Theoretical Chemistry Accounts, 68 (5). pp. 343-349. ISSN 1432-881X
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Official URL: http://www.springerlink.com/content/l613t52v771162...
Related URL: http://dx.doi.org/10.1007/BF00529055
Abstract
An analysis of valence changes in selected organic gas phase reactions, calculated on SINDO1 potential surfaces, is performed. It is shown that transition states and intermediates have diradical character if singlet and triplets states are nearly degenerate. As a consequence, normal valencies are expected in Woodward-Hoffman allowed reactions and reduced valencies in forbidden reactions. The formalism is also applied to cationic reactions, but the effects of valency changes are less pronounced.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Springer-Verlag. |
| Keywords: | Valency Changes; Woodward-Hoffmann Reactions |
| ID Code: | 15104 |
| Deposited On: | 13 Nov 2010 06:46 |
| Last Modified: | 02 Jun 2011 07:00 |
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