Onset of double helical structure in small-sized homoleptic gold thiolate clusters

The Journal of Physical Chemistry. a
N ShaoXiao Cheng Zeng

Abstract

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.

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Citations

Nov 26, 2015·Journal of the American Chemical Society·Chunyan LiuJing Ma
Sep 4, 2009·Journal of the American Chemical Society·Yong PeiXiao Cheng Zeng
Jan 28, 2014·Journal of Colloid and Interface Science·Christophe LavennAude Demessence
May 1, 2015·Physical Chemistry Chemical Physics : PCCP·Zhimei Tian, Longjiu Cheng
Jul 21, 2016·Physical Chemistry Chemical Physics : PCCP·Turbasu Sengupta, Sourav Pal
May 23, 2012·Nature Chemistry·Hannu Häkkinen
Jul 21, 2010·Nanoscale·Rongchao Jin
May 19, 2011·Chemistry : a European Journal·Rongchao JinHuifeng Qian
Jul 1, 2021·The Journal of Physical Chemistry. a·Pengye LiuWen Wu Xu
Sep 29, 2011·The Journal of Physical Chemistry. a·Brian M Barngrover, Christine M Aikens
Jan 29, 2011·ACS Nano·Yong PeiXiao Cheng Zeng

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