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Au3(μ3-S)(0e) elementary block: new insights into ligated gold clusters with μ3-sulfido motifs | |
Xu, WW; Zeng, XC; Gao, Y | |
2017 | |
Source Publication | NANOSCALE
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ISSN | 2040-3364 |
Volume | 9Issue:26Pages:8990-8996 |
Subtype | 期刊论文 |
Abstract | 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. |
Keyword | Crystal-structure Theoretical-analysis Structure Evolution Complexes Pseudopotentials Transformation Nanomolecules Luminescence Nanoclusters Fullerene |
DOI | 10.1039/c7nr03508j |
Indexed By | SCI |
WOS Keyword | CRYSTAL-STRUCTURE ; THEORETICAL-ANALYSIS ; STRUCTURE EVOLUTION ; COMPLEXES ; PSEUDOPOTENTIALS ; TRANSFORMATION ; NANOMOLECULES ; LUMINESCENCE ; NANOCLUSTERS ; FULLERENE |
Language | 英语 |
WOS ID | WOS:000411293800012 |
Citation statistics | |
Document Type | 期刊论文 |
Identifier | http://ir.sinap.ac.cn/handle/331007/28561 |
Collection | 中科院上海应用物理研究所2011-2019年 |
Recommended Citation 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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Au-3(mu(3)-S)(0e) el(2373KB) | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Download |
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