Isomerism in Au28(SR)20 Nanocluster and Stable Structures

Yuxiang Chen; Chong Liu; Qing Tang; Chenjie Zeng; Tatsuya Higaki; Anindita Das; De-en Jiang; Nathaniel L Rosi; Rongchao Jin

doi:10.1021/jacs.5b12094

Isomerism in Au28(SR)20 Nanocluster and Stable Structures

J Am Chem Soc. 2016 Feb 10;138(5):1482-5. doi: 10.1021/jacs.5b12094. Epub 2016 Jan 28.

Authors

Yuxiang Chen¹, Chong Liu², Qing Tang³, Chenjie Zeng¹, Tatsuya Higaki¹, Anindita Das¹, De-en Jiang³, Nathaniel L Rosi², Rongchao Jin¹

Affiliations

¹ Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
² Department of Chemistry, University of Pittsburgh , Pittsburgh, Pennsylvania 15213, United States.
³ Department of Chemistry, University of California , Riverside, California 92521, United States.

PMID: 26817394
DOI: 10.1021/jacs.5b12094

Abstract

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.

Publication types

Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.