Isomorphous substitution in bimetallic oxide clusters |
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Authors: | Janssens E Santambrogio G Brümmer M Wöste L Lievens P Sauer J Meijer G Asmis K R |
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Institution: | Institut für Experimentalphysik, Freie Universit?t Berlin, Arnimallee 14, D-14195 Berlin, Germany. janssens@physik.fu-berlin.de |
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Abstract: | The geometric and electronic structure of bimetallic oxide clusters is studied as a function of their composition with gas phase vibrational spectroscopy. Infrared multiple photon dissociation spectra of titanium-vanadium oxide cluster anions are measured in the 500 to 1200 wave number range and assigned on the basis of harmonic frequencies calculated using density functional theory. Singly substituted (V(2)O(5))(n-1)(VTiO(5))(-) (n=2-4) cluster anions are shown to form polyhedral caged structures similar to those predicted for their isoelectronic counterparts, the neutral (V(2)O(5))(n) clusters. Upon systematic exchange of V by Ti atoms in V(4-n)Ti(n)O(-)(10) (n=1-4), the structure does not change. The stress induced by the isomorphous substitution results in an increased number of unpaired electrons (n-1) for the Ti-rich systems, leading to a quartet ground state for Ti(4)O(-)(10). |
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