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. 2015 Mar 16;54(12):3702-6.
doi: 10.1002/anie.201410332. Epub 2015 Jan 28.

[Ag21{S2P(OiPr)2}12]+: an eight-electron superatom

Rajendra S Dhayal  1 , Jian-Hong Liao, Yu-Chiao Liu, Ming-His Chiang, Samia Kahlal, Jean-Yves Saillard, C W Liu
Affiliations

[Ag21{S2P(OiPr)2}12]+: an eight-electron superatom

Rajendra S Dhayal et al. Angew Chem Int Ed Engl. .

Abstract

A novel discrete [Ag21{S2P(OiPr)2}12](PF6) nanocluster has been synthesized and characterized by single-crystal X-ray diffraction and also NMR spectroscopy ((1)H, (31)P), ESI mass spectrometry, and other analytic techniques (XPS, EDS, UV/Vis spectroscopy). The Ag21 skeleton has an unprecedented silver-centered icosahedron that is capped by eight additional metal atoms. The whole framework is protected by twelve dithiophosphate ligands. According to the spherical Jellium model, the stability of monocationic nanocluster can be described by an 8-electron superatom with 1S(2) 1P(6) configuration, as confirmed by DFT calculations.

Keywords: X-ray diffraction; icosahedral structures; nanoclusters; silver; superatoms.

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