Title: Isomorphous substitution in bimetallic oxide clusters
Authors: Janssens, Ewald ×
Santambrogio, G
Brummer, M
Wöste, L
Lievens, Peter
Sauer, J
Meijer, G
Asmis, KR #
Issue Date: Jun-2006
Publisher: American physical soc
Series Title: Physical Review Letters vol:96 issue:23 pages:1-4
Article number: 233401
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 (V2O5)(n-1)(VTiO5)(-) (n=2-4) cluster anions are shown to form polyhedral caged structures similar to those predicted for their isoelectronic counterparts, the neutral (V2O5)(n) clusters. Upon systematic exchange of V by Ti atoms in V4-nTinO10- (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 Ti4O10-.
ISSN: 0031-9007
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Physics and Astronomy - miscellaneous
Solid State Physics and Magnetism Section
× corresponding author
# (joint) last author

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