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  Gas-phase structures of neutral silicon clusters

Härtelt, M., Lyon, J. T., Claes, P., de Haeck, J., Lievens, P., & Fielicke, A. (2012). Gas-phase structures of neutral silicon clusters. The Journal of Chemical Physics, 136(6): 064301. doi:10.1063/1.3682323.

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Härtelt, Marko1, Author           
Lyon, Jonathan T.2, Author
Claes, Pieterjan3, Author
de Haeck, Jorg3, Author
Lievens, Peter3, Author
Fielicke, André1, Author           
Affiliations:
1Molecular Physics, Fritz Haber Institute, Max Planck Society, ou_634545              
2Department of Natural Sciences, Clayton State University, 2000 Clayton State Blvd., Morrow, Georgia 30260, USA, ou_persistent22              
3Laboratory of Solid State Physics and Magnetism, KU Leuven,, Celestijnenlaan 200 D, B-3001 Leuven, Belgium, ou_persistent22              

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 Abstract: Vibrational spectra of neutral silicon clusters Sin, in the size range of n = 6–10 and for n = 15, have been measured in the gas phase by two fundamentally different IR spectroscopic methods. Silicon clusters composed of 8, 9, and 15 atoms have been studied by IR multiple photon dissociation spectroscopy of a cluster-xenon complex, while clusters containing 6, 7, 9, and 10 atoms have been studied by a tunable IR-UV two-color ionization scheme. Comparison of both methods is possible for the Si9 cluster. By using density functional theory, an identification of the experimentally observed neutral cluster structures is possible, and the effect of charge on the structure of neutrals and cations, which have been previously studied via IR multiple photon dissociation, can be investigated. Whereas the structures of small clusters are based on bipyramidal motifs, a trigonal prism as central unit is found in larger clusters. Bond weakening due to the loss of an electron leads to a major structural change between neutral and cationic Si₈

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Language(s): eng - English
 Dates: 2011-11-032012-01-172012-02-092012-02-14
 Publication Status: Issued
 Pages: 6
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 Table of Contents: -
 Rev. Type: Peer
 Degree: -

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Title: The Journal of Chemical Physics
Source Genre: Journal
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Pages: - Volume / Issue: 136 (6) Sequence Number: 064301 Start / End Page: - Identifier: ISSN: 1520-9032
CoNE: https://pure.mpg.de/cone/journals/resource/991042752807952