Electronic structure studies of six-atom gold clusters
作者： Mohammad A. Omary , Manal A. Rawashdeh-Omary , Charles C. Chusuei , John P. Fackler , Paul S. Bagus
DOI: 10.1063/1.1373431
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摘要: the @Au6~PPh3!6# unit of 1 carries a 12 charge, that Au6 portion is essentially neutral. More direct evidence for this distribution ionized charge has been obtained from HF and DFT calculations double ionization energies models 1. It found energy required to remove two electrons bare Au 6 cluster much larger than an with phosphine ligands present; again consistent in being delocalized onto triphenylphosphine ligands. possible delocalization positive responsible facilitating adhesion gold as finely dispersed particles metal oxide support. © 2001 American Institute Physics. @DOI: 10.1063/1.1373431#
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