title: The structures of vanadium oxide cluster-ethene complexes. A combined IR multiple photon dissociation spectroscopy and DFT calculation study.
abstract: Infrared spectra of complexes of small vanadium oxide clusters with ethene are determined using infrared multiple photon dissociation (IR-MPD) spectroscopy in the range of 550-1850 cm-1. The structures of the complexes have been identified by comparison of the experimental spectra with the harmonic vibrational frequencies and corresponding IR intensities of possible isomers calculated with DFT methods. We find that the ethene molecule binds directly to a vanadium atom in the cluster, although this it is not in all cases the most stable arrangement.
authors.affiliation: FOM Institute for Plasma Physics "Rijnhuizen", Edisonbaan 14, NL-3439 MN Nieuwegein, The Netherlands. fielicke@rijnh.nl
authors.forename: André
authors.initials: A
authors.lastname: Fielicke
authors.forename: Roland
authors.initials: R
authors.lastname: Mitrić
authors.forename: Gerard
authors.initials: G
authors.lastname: Meijer
authors.forename: Vlasta
authors.initials: V
authors.lastname: Bonacić-Koutecký
authors.forename: Gert
authors.initials: G
authors.lastname: von Helden