Single Crystal XRD Structure and Theoretical Analysis of the Chiral Au30S(S-t-Bu)18 Cluster

被引：246

作者：

Crasto, David ^{[1
]}

Malola, Sami ^{[2
]}

Brosofsky, Grace ^{[1
]}

Dass, Amala ^{[1
]}

Hakkinen, Hannu ^{[2
,3
]}

机构：

[1] Univ Mississippi, Dept Chem & Biochem, University, MS 38677 USA

[2] Univ Jyvaskyla, Nanosci Ctr, Dept Phys, FI-40014 Jyvaskyla, Finland

[3] Univ Jyvaskyla, Nanosci Ctr, Dept Chem, FI-40014 Jyvaskyla, Finland

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2014年 / 136卷 / 13期

基金：

美国国家科学基金会; 芬兰科学院;

关键词：

SELF-ASSEMBLED MONOLAYERS; GOLD; NANOPARTICLES;

D O I：

10.1021/ja412141j

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

\Au30S(S-t-Bu)(18) cluster, related closely to the recently isolated "green gold" compound Au-30(S-t-Bu)(18), has been structurally solved via single crystal XRD and analyzed by density functional theory calculations. The molecular protecting layer shows a combination of monomeric (RS-Au-SR) and trimeric (RS-Au-SR-Au-SR-Au-SR) gold thiolate units, bridging thiolates, and a single sulfur (sulfide) in a novel mu(3)-coordinating position. The chiral gold core has a geometrical component that is identical to the core of the recently reported Au-28(SPh-t-Bu)(20). Both enantiomers of Au30S(S-t-Bu)(18) are found in the crystal unit cell. The calculated CD spectrum bears a close resemblance to that of Au-28(SPh-t-Bu)(20). This is the first time when two structurally characterized thiol-stabilized gold clusters are found to have such closely related metal core structures and the results may increase understanding of the formation of gold clusters when stabilized by bulky thiolates.

引用

页码：5000 / 5005

页数：6

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