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Theoretical study of electronic spectra of [Pt3(μ-CO) 3(CO)3]n-2 (n = 3-5) complexes
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| DOI | 10.1002/QUA.21833 | ||||
| Año | 2009 | ||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
Abstract
The platinum-platinum attraction and the spectroscopic properties of [Pt-3(mu-CO)(3)(CO)(3)](n)(-2) (n = 3-5) were Studied at the PBE level. Theoretical calculations are in agreement with experimental geometries. The absorption spectra of these platinum complexes were calculated by the single excitation time-dependent (TD) density functional method. All complexes showed MLCT transitions interrelated with the intertriangular complexes. The values obtained at the PBE level are in agreement with the experimental color range. (C) 2008 Wiley Periodicals, Inc. Int J Quantum Chem 109; 477-482, 2009
| WOS |
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| Chemistry, Physical |
| Mathematics, Interdisciplinary Applications |
| Physics, Atomic, Molecular & Chemical |
| Quantum Science & Technology |
| Scopus |
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| Atomic And Molecular Physics, And Optics |
| Physical And Theoretical Chemistry |
| Condensed Matter Physics |
| SciELO |
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| Sin Disciplinas |
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | Mera-Adasme, Raul | Hombre |
Universidad de Chile - Chile
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| 2 | Burgos, Darwin | Hombre |
Universidad de Chile - Chile
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| 3 | OLEA-AZAR, CLAUDIO ALBERTO | Hombre |
Universidad de Chile - Chile
|
