Au3(μ3-S)(0e) elementary block: new insights into ligated gold clusters with μ3-sulfido motifs
Xu, WW; Zeng, XC; Gao, Y
2017
发表期刊NANOSCALE
ISSN2040-3364
卷号9期号:26页码:8990-8996
文章类型期刊论文
摘要

An understanding of the structural stability and formation mechanism of ligated gold nanoclusters with triply coordinated mu(3)-sulfido (mu(3)-S) motifs is important not only for gold chemistry but also for the design of more effective catalysts or drug carriers for various applications. In this article, a new elementary block Au-3(mu(3)-S) with zero valence electrons [referred to as Au-3(mu(3)-S)(0e)] has been identified, which describes all crystallized ligated gold clusters with mu(3)-S motifs, in conjunction with the previously reported Au-3(2e) and Au-4(2e) elementary blocks, in a grand unified model (GUM). This Au-3(mu(3)-S)(0e) elementary block has a tripod structure with the S atom bonding to three Au atoms in a mu(3) bridging mode, and can be considered as a mu(3)-S atom balancing out the 2e valence electrons of the Au-3(2e) block. Using Au-3(mu(3)-S) as a building block, a special group of quasi-fullerene hollow-cage [Au(3)n(mu(3)-S)(2n)](n-) gold(I) mu(3)-S clusters are designed, which exhibit high stabilities. In addition, a series of theoretical structures are predicted to be increasingly stable after introducing mu(3)-S atoms, based on the crystallized clusters. Overall, the introduction of a Au-3(mu(3)-S)(0e) elementary block can help with the understanding of diverse structures of ligated gold clusters with mu(3)-S motifs, thereby assisting the rational design of new forms of gold nanoclusters.

关键词Crystal-structure Theoretical-analysis Structure Evolution Complexes Pseudopotentials Transformation Nanomolecules Luminescence Nanoclusters Fullerene
DOI10.1039/c7nr03508j
关键词[WOS]CRYSTAL-STRUCTURE ; THEORETICAL-ANALYSIS ; STRUCTURE EVOLUTION ; COMPLEXES ; PSEUDOPOTENTIALS ; TRANSFORMATION ; NANOMOLECULES ; LUMINESCENCE ; NANOCLUSTERS ; FULLERENE
收录类别SCI
语种英语
WOS记录号WOS:000411293800012
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/28561
专题中科院上海应用物理研究所2011-2018年
推荐引用方式
GB/T 7714
Xu, WW,Zeng, XC,Gao, Y. Au3(μ3-S)(0e) elementary block: new insights into ligated gold clusters with μ3-sulfido motifs[J]. NANOSCALE,2017,9(26):8990-8996.
APA Xu, WW,Zeng, XC,&Gao, Y.(2017).Au3(μ3-S)(0e) elementary block: new insights into ligated gold clusters with μ3-sulfido motifs.NANOSCALE,9(26),8990-8996.
MLA Xu, WW,et al."Au3(μ3-S)(0e) elementary block: new insights into ligated gold clusters with μ3-sulfido motifs".NANOSCALE 9.26(2017):8990-8996.
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