New structure model of Au<inf>22</inf>(SR)<inf>18</inf>

Bitetrahederon golden kernel enclosed by [Au<inf>6</inf>(SR)<inf>6</inf>] Au(I) complex

Yong Pei, Jian Tang, Xianqiong Tang, Yunqing Huang, Xiao C Zeng

Research output: Contribution to journalArticle

37 Citations (Scopus)

Abstract

The study of atomic structure of thiolate-protected gold with decreased core size is important to explore the structural evolution from Au(I) complex to Au nanoclusters. In this work, we theoretically predicted the structure of recently synthesized four valence electron (4e) Au<inf>22</inf>(SR)<inf>18</inf> cluster. The Au<inf>22</inf>(SR)<inf>18</inf> cluster is proposed to possess a bitetrahedron Au<inf>7</inf> kernel that is surrounded by a unique [Au<inf>6</inf>(SR)<inf>6</inf>] Au(I) complex and three Au<inf>3</inf>(SR)<inf>4</inf> staple motifs. More interestingly, the Au<inf>22</inf>(SR)<inf>18</inf> exhibits structural connections with Au<inf>24</inf>(SR)<inf>20</inf> and Au<inf>20</inf>(SR)<inf>16</inf>. The stability of Au<inf>22</inf>(SR)<inf>18</inf> can be understood from the superatom electronic configuration of the Au kernel as well as the formation of superatomic network. The present study can offer new insight into the structural evolution as well as electronic structure of thiolate-protected Au nanoclusters.

Original languageEnglish (US)
Pages (from-to)1390-1395
Number of pages6
JournalJournal of Physical Chemistry Letters
Volume6
Issue number8
DOIs
StatePublished - Apr 16 2015

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Nanoclusters
Model structures
nanoclusters
atomic structure
Gold
Electronic structure
gold
electronic structure
valence
Electrons
configurations
electronics
electrons

Keywords

  • density functional theory (DFT)
  • electronic structure
  • structural evolution
  • superatom network
  • thiolated gold cluster

ASJC Scopus subject areas

  • Materials Science(all)

Cite this

New structure model of Au<inf>22</inf>(SR)<inf>18</inf> Bitetrahederon golden kernel enclosed by [Au<inf>6</inf>(SR)<inf>6</inf>] Au(I) complex. / Pei, Yong; Tang, Jian; Tang, Xianqiong; Huang, Yunqing; Zeng, Xiao C.

In: Journal of Physical Chemistry Letters, Vol. 6, No. 8, 16.04.2015, p. 1390-1395.

Research output: Contribution to journalArticle

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