Au13(8e): A secondary block for describing a special group of liganded gold clusters containing icosahedral Au13 motifs

Wen Wu Xu, Xiao Cheng Zeng, Yi Gao

Research output: Contribution to journalArticle

16 Scopus citations

Abstract

A grand unified model (GUM) has been proposed recently to understand structure anatomy and evolution of liganded gold clusters. In this work, besides the two types of elementary blocks (triangular Au3(2e) and tetrahedral Au4(2e)), we introduce a secondary block, namely, the icosahedral Au13 with 8e valence electrons, noted as Au13(8e). Using this secondary block, structural anatomy and evolution of a special group of liganded gold nanoclusters containing icosahedral Au13 motifs can be conveniently analyzed. In addition, a new ligand-protected cluster Au49(PR3)10(SR)15Cl2 is predicted to exhibit high chemical and thermal stability, suggesting likelihood of its synthesis in the laboratory.

Original languageEnglish (US)
Pages (from-to)35-39
Number of pages5
JournalChemical Physics Letters
Volume675
DOIs
StatePublished - 2017

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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