| Literature DB >> 18321117 |
Jaakko Akola1, Michael Walter, Robert L Whetten, Hannu Häkkinen, Henrik Grönbeck.
Abstract
Density functional theory is used to explore the structure of Au25(RS)18. The preferred structure consists of an icosahedral Au13 core protected by 6 RS-Au-RS-Au-RS units. The enhanced stability of the structure as an anion is found to originate from closure of an eight-electron shell for delocalized Au(6s) electrons. The evaluated XRD pattern and optical spectra are in good agreement with experimental data.Entities:
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Year: 2008 PMID： 18321117 DOI： 10.1021/ja800594p
Source DB: PubMed Journal: J Am Chem Soc ISSN： 0002-7863 Impact factor: 15.419