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

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 SiO2-surface yielded heterogeneous catalysts, which were investigated Activation with SiCl4 or TiCl4 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)(C2H4)(2)]. (C) 1998 Elsevier Science B.V. All rights reserved.