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[Ag 21 {S 2 P(O i Pr) 2 } 12 ] + : An Eight‐Electron Superatom
Author(s) -
Dhayal Rajendra S.,
Liao JianHong,
Liu YuChiao,
Chiang MingHis,
Kahlal Samia,
Saillard JeanYves,
Liu C. W.
Publication year - 2015
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201410332
Subject(s) - jellium , superatom , x ray photoelectron spectroscopy , crystallography , nanoclusters , chemistry , spectroscopy , electron counting , metal , electron , computational chemistry , density functional theory , physics , nuclear magnetic resonance , organic chemistry , quantum mechanics
A novel discrete [Ag 21 {S 2 P(O i Pr) 2 } 12 ](PF 6 ) 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 Ag 21 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.