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          Institute: Fritz-Haber-Institut     Collection: Molecular Physics     Display Documents



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ID: 271575.2, Fritz-Haber-Institut / Molecular Physics
Isomorphous substitution in bimetallic oxide clusters
Authors:Janssens, E.; Santambrogio, Gabriele; Brümmer, Mathias; Wöste, Ludger; Lievens, P.; Sauer, Joachim; Meijer, Gerard; Asmis, Knut R.
Language:English
Date of Publication (YYYY-MM-DD):2006-06-14
Title of Journal:Physical Review Letters
Journal Abbrev.:Phys. Rev. Lett.
Volume:96
Start Page:233401-1
End Page:233401-4
Copyright:2006 The American Physical Society
Review Status:Peer-review
Audience:Experts Only
Abstract / Description: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-nTinO-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 Ti5O-10.
External Publication Status:published
Document Type:Article
Communicated by:Gerard Meijer
Affiliations:Fritz-Haber-Institut/Molecular Physics
External Affiliations:Inst. f. Experimentalphysik, Freie Univ. Berlin, Germany;
Inst. f. Chemie, Humboldt-Universität zu Berlin, Germany;
Laboratorium voor Vaste-Stoffysica en Magnetisme, Katholieke Universiteit Leuven, Celestijnenlaan 200D, B-3001 Leuven, Belgium
Identifiers:URL:http://link.aps.org/abstract/PRL/v96/e233401
DOI:10.1103/PhysRevLett.96.233401
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