Theoretical Study of Electronic Spectra of [Pt-3(mu-CO)(3)(CO)(3)](n)(-2) (n=3-5) Complexes

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Theoretical Study of Electronic Spectra of [Pt-3(mu-CO)(3)(CO)(3)](n)(-2) (n=3-5) Complexes

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Theoretical Study of Electronic Spectra of [Pt-3(mu-CO)(3)(CO)(3)](n)(-2) (n=3-5) Complexes

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Título: Theoretical Study of Electronic Spectra of [Pt-3(mu-CO)(3)(CO)(3)](n)(-2) (n=3-5) Complexes
Autor: Mendizábal, Fernando; Burgos, Darwin; Olea Azar, Claudio
Resumen: 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.
URI: http://www.captura.uchile.cl/handle/2250/10988
Fecha: 2009-03-05
Cita del item: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 (3): 477-482


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