Electron distribution in partially reduced mixed metal oxide systems: infrared spectroscopy of CemVnOo(+) gas-phase
Ling Jiang1, Torsten Wende, Pieterjan Claes
1Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany.
Abstract:
Vibrational predissociation spectra of rare-gas-tagged [(CeO(2))(VO(2))(1-2)](+) and [(Ce(2)O(3))(VO(2))](+) clusters are measured in the 400-1200 cm(-1) region. Density functional theory (DFT) is used to determine the geometric and electronic structure of low-energy isomers of the partially reduced clusters. Comparison of experimental and simulated spectra provides evidence for the larger stability of Ce(+3)/V(+5) compared to that of Ce(+4)/V(+4), which confirms that the exceptionally high reducibility of Ce(+4) accounts for the promoting role of ceria in supported vanadium oxide catalysts.
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