Onset of Double Helical Structure in Small-Sized Homoleptic Gold Thiolate Clusters

Nan Shao; Yong Pei; Yi Gao

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Onset of Double Helical Structure in Small-Sized Homoleptic Gold Thiolate Clusters

机译：小型同型硫氰酸金簇中双螺旋结构的发生

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Low-lying isomers of homoleptic gold thiolate clusters (AuSR)_N (N = 6—12) are studied by using a global-minimum search method. Besides previously known zigzag crown structures for (AuSR)_N (N =6—12) and catenane structures for (AuSR)_N (N = 10, 12), onset of a new structural family of double helical structures in small-sized gold thiolate clusters and the separate-ring structures in larger clusters is revealed. At N = 6—9, the double helical structures are predicted to be the global minima. The onset of double helical structures suggests a new folding way for flexible gold thiolate clusters. The simulated UV—vis spectra and XRD patterns for all low-lying clusters are ready to compare with future experiments.

机译：通过使用全局最小搜索方法研究了均质硫醇金簇（AuSR）_N（N = 6-12）的低位异构体。除了先前已知的用于（AuSR）_N（N = 6-12）的锯齿形冠结构和用于（AuSR）_N（N = 10，12）的链烷结构之外，还出现了一种新的小硫醇金双螺旋结构结构家族团簇和较大团簇中的分离环结构被揭示。在N = 6-9时，双螺旋结构被预测为整体最小值。双螺旋结构的出现提示了一种灵活的硫醇金簇的新折叠方式。所有低洼星团的模拟UV-vis光谱和XRD图谱都准备好与以后的实验进行比较。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2009年第4期|共4页
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Nan Shao; Yong Pei; Yi Gao;
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1. Onset of Double Helical Structure in Small-Sized Homoleptic Gold Thiolate Clusters [J] . Nan Shao, Yong Pei, Yi Gao The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2009,第4期

机译：小型同型硫氰酸金簇中双螺旋结构的发生
2. Solvent-Induced Cluster-to-Cluster Transformation of Homoleptic Gold(I) Thiolates between Catenane and Ring-in-Ring Structures [J] . Xu Guang-Tao, Wu Liang-Liang, Chang Xiao-Yong, Angewandte Chemie . 2019,第45期

机译：溶剂诱导的聚蛋白和环形结构之间的硫醇含量的聚类 - 簇变化
3. Synthesis and structure of a homoleptic rhenium thiolate cluster [J] . Zhuang WW., Lappas D., Cohen J., Polyhedron: The International Journal for Inorganic and Organometallic Chemistry . 1998,第16期

机译：均相硫醇rh簇的合成与结构。
4. Study of the structure and electronic state of thiolate-protected gold clusters by means of ~(197)Au Moessbauer spectroscopy [C] . Norimichi Kojima, Kazuhiro Ikeda, Yasuhiro Kobayashi, International conference on the applications of the Mossbauer effect . 2012

机译：通过〜（197）Au Moessbauer光谱法研究硫醇保护的金簇的结构和电子状态
5. Discrete, monodispersed thiolated gold clusters. Synthesis, structure and application to electron microscopy. [D] . Jadzinsky, Pablo D. 2008

机译：离散的单分散硫醇化金簇。合成，结构及其在电子显微镜中的应用。
6. Gold tetrahedra coil up: Kekulé-like and double helical superstructures [O] . Chenjie Zeng, Yuxiang Chen, Chong Liu, 2015

机译：四面体金箔卷起来：类似Kekulé的双螺旋上层建筑
7. Glutathione-Protected Gold Clusters Revisited: Bridging the Gap between Gold(I)-Thiolate Complexes and Thiolate-Protected Gold Nanocrystals [O] . -1

机译：重新讨论了谷胱甘肽保护的金簇：弥合金（I） - 噻吩甲酸酯配合物和硫醇保护的金纳米晶体之间的差距
8. Structure and Function Evolution of Thiolate Monolayers on Gold Doctoral thesis [R] . Edwards, G. A. 2005

机译：金博士论文中硫醇盐单分子层的结构与功能演变

Onset of Double Helical Structure in Small-Sized Homoleptic Gold Thiolate Clusters

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