Sen, K. D. ; Ohta, K. ; Morokuma, K. (1984) Relative conformer stability of diphosphine and phosphinodifluorophosphine: an ab initio study Journal of Molecular Structure: Theochem, 109 (3-4). pp. 287-292. ISSN 0166-1280
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Official URL: http://www.sciencedirect.com/science/article/pii/0...
Related URL: http://dx.doi.org/10.1016/0166-1280(84)80012-3
Abstract
The geometry and the energy of conformers of H2PPH2 and H2PPF2 have been studied with the ab initio HF and CI methods. The order of stability has been found to decrease in the order gauche > trans > cis for H2PPH2 and gauche ≈ trans > cis for H2PPF2. The barrier for internal rotation has also been calculated.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 45075 |
| Deposited On: | 24 Jun 2011 13:36 |
| Last Modified: | 24 Jun 2011 13:36 |
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