Superatom Networks in Thiolate-Protected Gold Nanoparticles

Authors

  • Prof. Longjiu Cheng,

    Corresponding author
    1. Department of Chemistry, Anhui University, Hefei, Anhui, 230039 (P. R. China)
    • Longjiu Cheng, Department of Chemistry, Anhui University, Hefei, Anhui, 230039 (P. R. China)===

      Jinlong Yang, Hefei National Laboratory for Physics Sciences at the Microscale, University of Science & Technology of China, Hefei, Anhui, 230026 (P. R. China)===

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  • Yuan Yuan,

    1. Department of Chemistry, Anhui University, Hefei, Anhui, 230039 (P. R. China)
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  • Xiuzhen Zhang,

    1. Department of Chemistry, Anhui University, Hefei, Anhui, 230039 (P. R. China)
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  • Prof. Jinlong Yang

    Corresponding author
    1. Hefei National Laboratory for Physics Sciences at the Microscale, University of Science & Technology of China, Hefei, Anhui, 230026 (P. R. China)
    • Longjiu Cheng, Department of Chemistry, Anhui University, Hefei, Anhui, 230039 (P. R. China)===

      Jinlong Yang, Hefei National Laboratory for Physics Sciences at the Microscale, University of Science & Technology of China, Hefei, Anhui, 230026 (P. R. China)===

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  • We thank Professor Boldyrev for the AdNDP codes. This work is financed by the NSFC (21121003, 21273008, 21233007, 91021004), by the National Key Basic Research Program of China (2011CB921404), by the Chinese Academy of Sciences (XDB01020300),and by the outstanding youth foundation of Anhui University. The calculations are carried out on the High-Performance Computing Centre of Anhui University.

Abstract

original image

The next super model: The Au84+ core of [Au20(SR)16] can be viewed as two non-conjugate 4 center–2 electron (4c–2e) tetrahedral Au4 superatoms. The four valence electrons are delocalized in each Au4 unit as 4c–2e σ bonds. Chemical bonding analysis confirms that a 2e-superatom network exists in [Au20(SR)16] (see picture: Au yellow, SR purple, superatoms tetrahedra/red), this model explains the properties of this species.

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