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[SiAu4]: Aurosilane

Authors

  • Boggavarapu Kiran Dr.,

    1. Department of Physics, Washington State University, 2710 University Drive, Richland, WA 99352, USA, and, W. R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, MS K8-88, P.O. Box 999, Richland, WA 99352, USA, Fax: (+1) 509-376-6066
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  • Xi Li,

    1. Department of Physics, Washington State University, 2710 University Drive, Richland, WA 99352, USA, and, W. R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, MS K8-88, P.O. Box 999, Richland, WA 99352, USA, Fax: (+1) 509-376-6066
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  • Hua-Jin Zhai Dr.,

    1. Department of Physics, Washington State University, 2710 University Drive, Richland, WA 99352, USA, and, W. R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, MS K8-88, P.O. Box 999, Richland, WA 99352, USA, Fax: (+1) 509-376-6066
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  • Li-Feng Cui,

    1. Department of Physics, Washington State University, 2710 University Drive, Richland, WA 99352, USA, and, W. R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, MS K8-88, P.O. Box 999, Richland, WA 99352, USA, Fax: (+1) 509-376-6066
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  • Lai-Sheng Wang Prof. Dr.

    1. Department of Physics, Washington State University, 2710 University Drive, Richland, WA 99352, USA, and, W. R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, MS K8-88, P.O. Box 999, Richland, WA 99352, USA, Fax: (+1) 509-376-6066
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  • Valuable discussions with Dr. Jun Li and Prof. A. I. Boldyrev are gratefully acknowledged. This work was supported by the US National Science Foundation (CHE-0349426) and partly by the Petroleum Research Fund of the American Chemical Society, and performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the US Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, operated for DOE by Battelle. Part of the calculations was performed with supercomputers at the EMSL Molecular Science Computing Facility.

Abstract

original image

Gold is isolobal to hydrogen. Despite the fact that Au and Si do not form stable alloys, Si and Au form stable covalently bounded clusters, as evidenced from anion photoelectron spectroscopy and ab initio calculations. In a series of [SiAun] clusters (n=2–4) that are similar to SiHn (n=2–4) in structure, chemical bonding, and stability, Au atoms are shown to be isolobal to hydrogen atoms (see picture).

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