title: Vibrational spectra and structures of bare and Xe-tagged cationic Si(n)O(m)⁺ clusters.
abstract: Vibrational spectra of Xe-tagged cationic silicon oxide clusters Si(n)O(m)(+) with n = 3-5 and m = n, n ± 1 in the gas phase are obtained by resonant infrared multiple photon dissociation (IRMPD) spectroscopy and density functional theory calculations. The Si(n)O(m)(+) clusters are produced in a laser vaporization ion source and Xe complexes are formed after thermalization to 100 K. The clusters are subsequently irradiated with tunable light from an IR free electron laser and changes in the mass distribution yield size-specific IR spectra. The measured IRMPD spectra are compared to calculated linear IR absorption spectra leading to structural assignments. For several clusters, Xe complexation alters the energetic order of the Si(n)O(m)(+) isomers. Common structural motifs include the Si2O2 rhombus, the Si3O2 pentagon, and the Si3O3 hexagon.
authors.affiliation: Institut für Optik und Atomare Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin, Germany.
authors.forename: Marco
authors.initials: M
authors.lastname: Savoca
authors.affiliation: Institut für Optik und Atomare Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin, Germany.
authors.forename: Judith
authors.initials: J
authors.lastname: Langer
authors.affiliation: Institut für Physikalische Chemie, Georg-August-Universität Göttingen, Tammannstr. 6, 37077 Göttingen, Germany.
authors.forename: Dan J
authors.initials: DJ
authors.lastname: Harding
authors.affiliation: Lehrstuhl für Theoretische Chemie, Technische Universität München, Lichtenbergstr. 4, 85747 Garching, Germany.
authors.forename: Dennis
authors.initials: D
authors.lastname: Palagin
authors.affiliation: Lehrstuhl für Theoretische Chemie, Technische Universität München, Lichtenbergstr. 4, 85747 Garching, Germany.
authors.forename: Karsten
authors.initials: K
authors.lastname: Reuter
authors.affiliation: Institut für Optik und Atomare Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin, Germany.
authors.forename: Otto
authors.initials: O
authors.lastname: Dopfer
authors.affiliation: Institut für Optik und Atomare Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin, Germany.
authors.forename: André
authors.initials: A
authors.lastname: Fielicke