Au3(μ3-S)(0e) elementary block: new insights into ligated gold clusters with μ3-sulfido motifs
Au3(μ3-S)(0e) elementary block: new insights into ligated gold clusters with μ3-sulfido motifs
复制标题
Au-3(mu(3)-S)(0e) 基本块：对具有 mu(3)-硫基基序的连接金簇的新见解
DOI：
10.1039/c7nr03508j
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发表时间：
2017-07-14
期刊：
影响因子：
6.7
通讯作者：
Gao, Yi
中科院分区：
文献类型：
--
作者：
Xu, Wen Wu;Zeng, Xiao Cheng;Gao, Yi
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.
