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Title: Vibrational spectra and structures of bare and Xe-tagged cationic Si{sub n}O{sub m}{sup +} clusters

Abstract

Vibrational spectra of Xe-tagged cationic silicon oxide clusters Si{sub n}O{sub m}{sup +} 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{sub n}O{sub m}{sup +} 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{sub n}O{sub m}{sup +} isomers. Common structural motifs include the Si{sub 2}O{sub 2} rhombus, the Si{sub 3}O{sub 2} pentagon, and the Si{sub 3}O{sub 3} hexagon.

Authors:
; ; ;  [1];  [2]; ;  [3]
  1. Institut für Optik und Atomare Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin (Germany)
  2. Institut für Physikalische Chemie, Georg-August-Universität Göttingen, Tammannstr. 6, 37077 Göttingen (Germany)
  3. Lehrstuhl für Theoretische Chemie, Technische Universität München, Lichtenbergstr. 4, 85747 Garching (Germany)
Publication Date:
OSTI Identifier:
22308375
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 141; Journal Issue: 10; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ABSORPTION SPECTRA; ALLOCATIONS; DENSITY FUNCTIONAL METHOD; DISSOCIATION; EVAPORATION; FREE ELECTRON LASERS; INFRARED SPECTRA; ION SOURCES; IRRADIATION; ISOMERS; MASS DISTRIBUTION; PHOTONS; SILICON OXIDES; SPECTROSCOPY; THERMALIZATION; XENON COMPLEXES

Citation Formats

Savoca, Marco, Langer, Judith, Dopfer, Otto, E-mail: dopfer@physik.tu-berlin.de, E-mail: fielicke@physik.tu-berlin.de, Fielicke, André, E-mail: dopfer@physik.tu-berlin.de, E-mail: fielicke@physik.tu-berlin.de, Harding, Dan J., Palagin, Dennis, and Reuter, Karsten. Vibrational spectra and structures of bare and Xe-tagged cationic Si{sub n}O{sub m}{sup +} clusters. United States: N. p., 2014. Web. doi:10.1063/1.4894406.
Savoca, Marco, Langer, Judith, Dopfer, Otto, E-mail: dopfer@physik.tu-berlin.de, E-mail: fielicke@physik.tu-berlin.de, Fielicke, André, E-mail: dopfer@physik.tu-berlin.de, E-mail: fielicke@physik.tu-berlin.de, Harding, Dan J., Palagin, Dennis, & Reuter, Karsten. Vibrational spectra and structures of bare and Xe-tagged cationic Si{sub n}O{sub m}{sup +} clusters. United States. doi:10.1063/1.4894406.
Savoca, Marco, Langer, Judith, Dopfer, Otto, E-mail: dopfer@physik.tu-berlin.de, E-mail: fielicke@physik.tu-berlin.de, Fielicke, André, E-mail: dopfer@physik.tu-berlin.de, E-mail: fielicke@physik.tu-berlin.de, Harding, Dan J., Palagin, Dennis, and Reuter, Karsten. Sun . "Vibrational spectra and structures of bare and Xe-tagged cationic Si{sub n}O{sub m}{sup +} clusters". United States. doi:10.1063/1.4894406.
@article{osti_22308375,
title = {Vibrational spectra and structures of bare and Xe-tagged cationic Si{sub n}O{sub m}{sup +} clusters},
author = {Savoca, Marco and Langer, Judith and Dopfer, Otto, E-mail: dopfer@physik.tu-berlin.de, E-mail: fielicke@physik.tu-berlin.de and Fielicke, André, E-mail: dopfer@physik.tu-berlin.de, E-mail: fielicke@physik.tu-berlin.de and Harding, Dan J. and Palagin, Dennis and Reuter, Karsten},
abstractNote = {Vibrational spectra of Xe-tagged cationic silicon oxide clusters Si{sub n}O{sub m}{sup +} 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{sub n}O{sub m}{sup +} 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{sub n}O{sub m}{sup +} isomers. Common structural motifs include the Si{sub 2}O{sub 2} rhombus, the Si{sub 3}O{sub 2} pentagon, and the Si{sub 3}O{sub 3} hexagon.},
doi = {10.1063/1.4894406},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 10,
volume = 141,
place = {United States},
year = {2014},
month = {9}
}