| Author | dc.contributor.author | Mendizábal Emaldía, Fernando | |
| Author | dc.contributor.author | Olea Azar, Claudio | es_CL |
| Author | dc.contributor.author | Miranda, Sebastián | es_CL |
| Admission date | dc.date.accessioned | 2010-06-10T13:46:57Z | |
| Available date | dc.date.available | 2010-06-10T13:46:57Z | |
| Publication date | dc.date.issued | 2007-05 | |
| Cita de ítem | dc.identifier.citation | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 107 (6): 1454-1458 | en_US |
| Identifier | dc.identifier.issn | 0020-7608 | |
| Identifier | dc.identifier.uri | https://repositorio.uchile.cl/handle/2250/120990 | |
| Abstract | dc.description.abstract | Ab initio calculations suggest that a series of complexes of type [Pt(PH3)(3)-MPH3](+) (M = Au, Ag, Cu) are stable. We found that changes around the equilibrium distance Pt-M and in the interaction energies are sensitive to the electron correlation potential. This effect was evaluated using several levels of theory, including HF, MP2, and B3LYP. Both the magnitude of the interaction energies and distances Pt-M indicate a formal chemical bond, the latter being ratified by orbital diagram. | en_US |
| Lenguage | dc.language.iso | en | en_US |
| Publisher | dc.publisher | JOHN WILEY & SONS INC | en_US |
| Keywords | dc.subject | Pplatinum bond | en_US |
| Título | dc.title | Theoretical study of the interaction d(10)-d(8) between Pt(0) and M(I) on the [Pt(PH3)-MPH3](+) complexes (M = Cu, Ag, Au) | en_US |
| Document type | dc.type | Artículo de revista | |
