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 () cluster anions are shown to form polyhedral caged structures similar to those predicted for their isoelectronic counterparts, the neutral clusters. Upon systematic exchange of V by Ti atoms in (), the structure does not change. The stress induced by the isomorphous substitution results in an increased number of unpaired electrons () for the Ti-rich systems, leading to a quartet ground state for .
- Received 30 December 2005
DOI:https://doi.org/10.1103/PhysRevLett.96.233401
©2006 American Physical Society