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J. Chem. Phys. 136, 064301 (2012); http://dx.doi.org/10.1063/1.3682323 (6 pages)

Gas-phase structures of neutral silicon clusters

Marko Haertelt1, Jonathan T. Lyon2, Pieterjan Claes3, Jorg de Haeck3, Peter Lievens3, and André Fielicke1

1Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany
2Department of Natural Sciences, Clayton State University, 2000 Clayton State Blvd., Morrow, Georgia 30260, USA
3Laboratory of Solid State Physics and Magnetism, KU Leuven, Celestijnenlaan 200 D, B-3001 Leuven, Belgium

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(Received 3 November 2011; accepted 17 January 2012; published online 9 February 2012)

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.

© 2012 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. EXPERIMENTAL AND THEORETICAL METHODS
  3. RESULTS AND DISCUSSION
  4. CONCLUSION

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KEYWORDS and PACS

PACS

  • 36.40.Mr

    Spectroscopy and geometrical structure of clusters

  • 33.15.Bh

    General molecular conformation and symmetry; stereochemistry

  • 33.15.Mt

    Rotation, vibration, and vibration-rotation constants

  • 33.20.Ea

    Infrared spectra

  • 33.20.Lg

    Ultraviolet spectra

  • 33.80.Gj

    Diffuse spectra; predissociation, photodissociation

ARTICLE DATA

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

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