Structural Identification of Caged Vanadium Doped Silicon Clusters

Claes, Pieterjan; Janssens, E.; Ngan, V. T.; Gruene, Philipp; Lyon, Jonathan T.; Harding, Daniel J.; Fielicke, André; Nguyen, M. T.; Lievens, P.

doi:10.1103/PhysRevLett.107.173401

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Structural Identification of Caged Vanadium Doped Silicon Clusters

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Gruene, Philipp
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Lyon, Jonathan T.
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Harding, Daniel J.
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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

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Citation

Claes, P., Janssens, E., Ngan, V. T., Gruene, P., Lyon, J. T., Harding, D. J., et al. (2011). Structural Identification of Caged Vanadium Doped Silicon Clusters. Physical Review Letters, 107(17): 173401. doi:10.1103/PhysRevLett.107.173401.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0012-2E38-3

Abstract

The geometry of cationic silicon clusters doped with vanadium, Si_nV⁺ (n=12–16), is investigated by using infrared multiple photon dissociation of the corresponding rare gas complexes in combination with ab initio calculations. It is shown that the clusters are endohedral cages, and evidence is provided that Si₁₆V⁺ is a fluxional system with a symmetric Frank-Kasper geometry.