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Journal Article

Gas-phase structures of neutral silicon clusters


Härtelt,  Marko
Molecular Physics, Fritz Haber Institute, Max Planck Society;


Fielicke,  André
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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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.

Cite as: https://hdl.handle.net/11858/00-001M-0000-000F-4581-D
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