Thiolate-protected Au20(SR)16 cluster: Prolate Au8 core with new [Au3(SR)4] staple motif

Yong Pei, Yi Gao, Nan Shao, Cheng Zeng Xiao

Research output: Contribution to journalArticle

139 Citations (Scopus)

Abstract

(Chemical Equation Presented) The precise atomic structure of the recently synthesized "magic cluster" Au20(SR)16 is predicted using ab initio calculations and global-minimum searches. The cluster contains a prolate Au8 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 Au20(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.

Original languageEnglish (US)
Pages (from-to)13619-13621
Number of pages3
JournalJournal of the American Chemical Society
Volume131
Issue number38
DOIs
StatePublished - Oct 13 2009

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ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

Cite this

Thiolate-protected Au20(SR)16 cluster : Prolate Au8 core with new [Au3(SR)4] staple motif. / Pei, Yong; Gao, Yi; Shao, Nan; Xiao, Cheng Zeng.

In: Journal of the American Chemical Society, Vol. 131, No. 38, 13.10.2009, p. 13619-13621.

Research output: Contribution to journalArticle

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