Do agostic interactions play a role in the stabilization of the nido structure of [(PPh3)2RhSB9H10]?
Density functional calculations on [(PPh3)2-nido- RhSB9H10] do not support the proposition that there are agostic interactions between two ortho-phenyl hydrogen atoms and the metal centre. Thus, the claim that these interactions supply the electron-pair 'missing' from the formal Wadian ele...
| Autores: | , |
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| Tipo de recurso: | artículo |
| Estado: | Versión enviada para evaluación y publicación |
| Fecha de publicación: | 2014 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/111774 |
| Acceso en línea: | http://hdl.handle.net/10261/111774 |
| Access Level: | acceso abierto |
| Palabra clave: | Agostic Metallaborane Cluster structure Wade's rules DFT Rhodathiaborane |
| Sumario: | Density functional calculations on [(PPh3)2-nido- RhSB9H10] do not support the proposition that there are agostic interactions between two ortho-phenyl hydrogen atoms and the metal centre. Thus, the claim that these interactions supply the electron-pair 'missing' from the formal Wadian electron-count of 13 skeletal-electron-pairs required for a nido 11-vertex cluster is also not supported. © 2014 Elsevier B.V. All rights reserved. |
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