title: Electron distribution in partially reduced mixed metal oxide systems: infrared spectroscopy of CemVnOo(+) gas-phase clusters.
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.
authors.affiliation: Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany.
authors.forename: Ling
authors.initials: L
authors.lastname: Jiang
authors.forename: Torsten
authors.initials: T
authors.lastname: Wende
authors.forename: Pieterjan
authors.initials: P
authors.lastname: Claes
authors.forename: Soumen
authors.initials: S
authors.lastname: Bhattacharyya
authors.forename: Marek
authors.initials: M
authors.lastname: Sierka
authors.forename: Gerard
authors.initials: G
authors.lastname: Meijer
authors.forename: Peter
authors.initials: P
authors.lastname: Lievens
authors.forename: Joachim
authors.initials: J
authors.lastname: Sauer
authors.forename: Knut R
authors.initials: KR
authors.lastname: Asmis