Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
Department of Chemistry, University of Pittsburgh , Pittsburgh, Pennsylvania 15213, United States.
J Am Chem Soc. 2016 Feb 10;138(5):1482-5. doi: 10.1021/jacs.5b12094. Epub 2016 Jan 28.
Understanding the isomerism phenomenon at the nanoscale is a challenging task because of the prerequisites of precise composition and structural information on nanoparticles. Herein, we report the ligand-induced, thermally reversible isomerization between two thiolate-protected 28-gold-atom nanoclusters, i.e. Au28(S-c-C6H11)20 (where -c-C6H11 = cyclohexyl) and Au28(SPh-(t)Bu)20 (where -Ph-(t)Bu = 4-tert-butylphenyl). The intriguing ligand effect in dictating the stability of the two Au28(SR)20 structures is further investigated via dispersion-corrected density functional theory calculations.
理解纳米尺度的同分异构现象是一项具有挑战性的任务，因为需要纳米粒子具有精确的组成和结构信息。在此，我们报告了两种巯基保护的 28 金原子纳米团簇，即 Au28(S-c-C6H11)20（其中 -c-C6H11 = 环己基）和 Au28(SPh-(t)Bu)20（其中 -Ph-(t)Bu = 4-叔丁基苯基）之间的配体诱导、热可逆异构化。通过色散校正密度泛函理论计算，进一步研究了配体效应对两种 Au28(SR)20 结构稳定性的影响。
