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Molecular orbital analysis of the bondig in platinum phosphine hydride clusters |
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| Affiliation: | 1. Department of Chemistry, New York University, 100 Washington Square East, New York, NY 10003, USA;1. Synthesis and Solid State Pharmaceutical Centre, School of Pharmacy and Pharmaceutical Sciences, Trinity College Dublin, Dublin 2, Ireland;2. School of Pharmacy and Pharmaceutical Sciences, Trinity College Dublin, Dublin 2, Ireland |
| Abstract: | The electronic and structural features of platinum clusters containing tertiary phosphine and hydride ligands have been analysed using Extended Hückel molecular orbital calculations. The calculations illustrate how the non-conical nature of the constituent PtL2 fragments leads to their having a marked conformational preference in the clusters. The introduction of PtL fragments into some of the clusters leads to a further flexibility in electron count which may also be rationalised on the basis of the analysis presented here. |
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