On the structure of the thiolated Au15 cluster

被引：65

作者：

Tlahuice-Flores, Alfredo ^{[1
]}

Jose-Yacaman, Miguel ^{[1
]}

Whetten, Robert L. ^{[1
]}

机构：

[1] Univ Texas San Antonio, Dept Phys & Astron, San Antonio, TX 78249 USA

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2013年 / 15卷 / 45期

基金：

美国国家科学基金会;

关键词：

PROTECTED GOLD CLUSTERS; MASS-SPECTROMETRY; CRYSTAL-STRUCTURE; KDA GOLD; NANOCLUSTERS; AU-25; NMR; SPECTROSCOPY; NANOPARTICLE; STABILITY;

D O I：

10.1039/c3cp53837k

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The structure of the Au-15-thiolate cluster has been elucidated using a DFT approach, and it is demonstrated to comprise a Au-4-tetrahedron core protected solely by the combination of two concatenated staple motifs. The longer motif efficiently wraps the core, and threads the shorter one. The structural assignment is supported by comparison to the powder X-ray diffraction pattern and, via time dependent-DFT calculations, to the optical and chiroptical (CD) absorption spectra. The calculated CD spectrum features a characteristic strong peak centered at 3.48 eV in accordance with the experimental profile. These results confirm the existence of long Au(I)-thiolate motifs as protecting units of small thiolated gold clusters with a thiolate-to-gold ratio comparable to the Au-15(SR)(13) cluster.

引用

页码：19557 / 19560

页数：4

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