| Literature DB >> 19725501 |
Yong Pei1, Yi Gao, Nan Shao, Xiao Cheng Zeng.
Abstract
The precise atomic structure of the recently synthesized "magic cluster" Au(20)(SR)(16) is predicted using ab initio calculations and global-minimum searches. The cluster contains a prolate Au(8) core and four level-3 extended staple motifs (-RS-Au-RS-Au-RS-Au-RS-). The simulated optical absorption spectra of the lowest-energy structures are in good agreement with the measured spectrum. The Au(20)(SR)(16) cluster, with a low Au/SR ratio of 1.25:1, may represent a structural evolution from core-free homoleptic clusters [Au(SR)](N) to core-stacked clusters.Entities:
Year: 2009 PMID： 19725501 DOI： 10.1021/ja905359b
Source DB: PubMed Journal: J Am Chem Soc ISSN： 0002-7863 Impact factor: 15.419