Isomorphous Substitution in Bimetallic Oxide Clusters

E. Janssens, G. Santambrogio, M. Brümmer, L. Wöste, P. Lievens, J. Sauer, G. Meijer, and K. R. Asmis
Phys. Rev. Lett. 96, 233401 – Published 14 June 2006
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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 (V2O5)n1(VTiO5) (n=24) 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 V4nTinO10 (n=14), the structure does not change. The stress induced by the isomorphous substitution results in an increased number of unpaired electrons (n1) for the Ti-rich systems, leading to a quartet ground state for Ti4O10.

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  • Received 30 December 2005

DOI:https://doi.org/10.1103/PhysRevLett.96.233401

©2006 American Physical Society

Authors & Affiliations

E. Janssens1,2,*, G. Santambrogio1, M. Brümmer1, L. Wöste1, P. Lievens2, J. Sauer3,†, G. Meijer4, and K. R. Asmis4,‡

  • 1Institut für Experimentalphysik, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin, Germany
  • 2Laboratorium voor Vaste-Stoffysica en Magnetisme, Katholieke Universiteit Leuven, Celestijnenlaan 200D, B-3001 Leuven, Belgium
  • 3Institut für Chemie, Humboldt-Universität Berlin, Unter den Linden 6, D-10099 Berlin, Germany
  • 4Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany

  • *Electronic address: janssens@physik.fu-berlin.de
  • Electronic address: js@chemie.hu-berlin.de
  • Electronic address: asmis@fhi-berlin.mpg.de

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Issue

Vol. 96, Iss. 23 — 16 June 2006

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