Bamzai, Anjuli S. ; Deb, B. M. (1978) A link between the second-order jahn-teller effect and the highest occupied molecular orbital postulate for molecular shapes Pramana - Journal of Physics, 11 (2). pp. 191-194. ISSN 0304-4289
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Official URL: http://www.ias.ac.in/j_archive/pramana/11/2/191-19...
Related URL: http://dx.doi.org/10.1007/BF02846717
Abstract
For a closed-shell molecule, a connection is drawn between two recent models for molecular shapes, namely, those based on the second-order Jahn-Teller (SOJT) effect and the highest occupied molecular orbital (HOMO) postulate respectively. Two necessary and sufficient conditions are derived within the molecular orbital framework for the approximation inherent in the SOJT model to be valid. One of these conditions is akin to the HOMO postulate.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Indian Academy of Sciences. |
| Keywords: | Jahn-teller Effect; Homo Postulate; Molecular Geometry |
| ID Code: | 9249 |
| Deposited On: | 29 Oct 2010 11:11 |
| Last Modified: | 16 May 2016 19:04 |
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