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Chiral Au22(SR)17-: a new ligand-binding strategy for structural prediction of thiolate-protected gold nanocluster

  • Wen Wu Xu*
  • , Dongdong Lin
  • , Jie Fu
  • , Wenhui Zhao
  • , Xiangmei Duan
  • , Xiao Cheng Zeng*
  • *Corresponding author for this work

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

Abstract

A new atomic structure of chiral thiolate-protected gold nanocluster Au22(SR)17- is predicted on the basis of the new ligand-binding strategy, namely, redistributing the Au-S "staple" motifs on the well-known Au10 core from previously laboratory-determined Au21(SR)15 crystal structure. Density functional theory calculations show that this structure is very likely the realistic structure for the synthesized Au22(SR)17-.
Original languageEnglish
Pages (from-to)2995-2998
JournalChemical Communications
Volume56
Issue number20
Online published5 Feb 2020
DOIs
Publication statusPublished - 11 Mar 2020
Externally publishedYes

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