title: Electronic structures of electron-rich octahedrally condensed transition-metal chalcogenide clusters.
abstract: The electronic structures of some electron-rich octahedrally condensed transition-metal chalcogenide clusters are analyzed with the aid of extended Hückel and density functional molecular orbital calculations. A simple orbital approach is developed to analyze the electron counts of these clusters, which do not obey any existing electron-counting rules. Different electron counts are allowed, depending upon the nature of the metal. Optimal counts are discussed. Metal-metal bonding is generally weak in these species. Consequently, their structural arrangements are mainly governed by metal-ligand interactions.
authors.affiliation: Laboratoire de Chimie du Solide et Inorganique Moléculaire, UMR 6511 CNRS-Université de Rennes 1, Institut de Chimie de Rennes, 35042 Rennes Cedex, France.
authors.forename: Régis
authors.initials: R
authors.lastname: Gautier
authors.forename: Eric
authors.initials: E
authors.lastname: Furet
authors.forename: Jean-François
authors.initials: JF
authors.lastname: Halet
authors.forename: Zhenyang
authors.initials: Z
authors.lastname: Lin
authors.forename: Jean-Yves
authors.initials: JY
authors.lastname: Saillard
authors.forename: Zhitao
authors.initials: Z
authors.lastname: Xu