Pavankumar, P. N. V. ; Ashok, B. ; Jemmis, Eluvathingal D. (1986) Agostic interactions as an alternative to octahedral ethylene-hydride complexes. β-CH bond activation Journal of Organometallic Chemistry, 315 (3). pp. 361-367. ISSN 0022-328X
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Official URL: http://www.sciencedirect.com/science/article/pii/0...
Related URL: http://dx.doi.org/10.1016/0022-328X(86)80456-9
Abstract
The geometric factors unique to β.CH bond addition are discussed. Extended Huckel Molecular Orbital calculatins of the reaction profile for the conversion of [η5-C5H5Co(PH3)C2H5]+ into [η5-C5H5Co(PH3)(C2H4)(C2H4)H]+ shows that an intermediate structure with an agostic interaction is more stable than the octahedral ethylene-hydride complex. The tranformation from the agostic structure to the pentacoordinate species involves a barrier.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 82669 |
| Deposited On: | 14 Feb 2012 11:17 |
| Last Modified: | 14 Feb 2012 11:17 |
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