FT-RAMAN SPECTROSCOPY AND DENSITY-FUNCTIONAL THEORY STUDIES ON SILICA-SUPPORTED RHODIUM COMPLEXES

FT-Raman spectra of catalytically active rhodium complexes with variou s olefinic and various anionic ligands were recorded in benzene soluti on. Immobilization of these complexes on a SiO2-surface yielded hetero geneous catalysts, which were investigated Activation with SiCl4 or Ti Cl4 improved the catalytic activity. Therefore the FT-Raman spectrosco pic investigations were also extended to this case. On the basis of de nsity functional theory calculations a complete band assignment has be en performed for the acetylacetonato complex [Rh(acac)(C2H4)(2)]. (C) 1998 Elsevier Science B.V. All rights reserved.