FT-Raman spectroscopy and density functional theory studies on silica-supported rhodium complexes

Abstract

FT-Raman spectra of catalytically active rhodium complexes with various olefinic and various anionic ligands were recorded in benzene solution. Immobilization of these complexes on a SiO 2-surface yielded heterogeneous catalysts, which were investigated. Activation with SiCl 4 or TiCl 4 improved the catalytic activity. Therefore the FT-Raman spectroscopic investigations were also extended to this case. On the basis of density functional theory calculations a complete band assignment has been performed for the acetylacetonato complex [Rh(acac)(C 2H 4) 2].