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

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.