title: Infrared spectroscopy and binding geometries of oxygen atoms bound to cationic tantalum clusters.
abstract: The binding of isolated oxygen atoms to small tantalum clusters is investigated using vibrational spectroscopy. Infrared spectra of Ta(n)O(0,1,2)(+) (n = 6-11) are reported in the range of 90-1100 cm(-1), comprising both the internal cluster modes and the adatom's vibrations. The vibrational spectra are compared to the results of DFT calculations for n = 6-8, which show that the oxygen atoms bind preferentially as 2-fold bridging adatoms. Addition of one or two O atoms induces only minor distortions of the underlying metal cluster core.
authors.affiliation: Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany. fielicke@fhi-berlin.mpg.de
authors.forename: André
authors.initials: A
authors.lastname: Fielicke
authors.forename: Philipp
authors.initials: P
authors.lastname: Gruene
authors.forename: Marko
authors.initials: M
authors.lastname: Haertelt
authors.forename: Dan J
authors.initials: DJ
authors.lastname: Harding
authors.forename: Gerard
authors.initials: G
authors.lastname: Meijer