title: Isomerism in Au28(SR)20 Nanocluster and Stable Structures.
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.
authors.affiliation: Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Yuxiang
authors.initials: Y
authors.lastname: Chen
authors.affiliation: Department of Chemistry, University of Pittsburgh , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Chong
authors.initials: C
authors.lastname: Liu
authors.affiliation: Department of Chemistry, University of California , Riverside, California 92521, United States.
authors.forename: Qing
authors.initials: Q
authors.lastname: Tang
authors.affiliation: Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Chenjie
authors.initials: C
authors.lastname: Zeng
authors.affiliation: Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Tatsuya
authors.initials: T
authors.lastname: Higaki
authors.affiliation: Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Anindita
authors.initials: A
authors.lastname: Das
authors.affiliation: Department of Chemistry, University of California , Riverside, California 92521, United States.
authors.forename: De-en
authors.initials: DE
authors.lastname: Jiang
authors.affiliation: Department of Chemistry, University of Pittsburgh , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Nathaniel L
authors.initials: NL
authors.lastname: Rosi
authors.affiliation: Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Rongchao
authors.initials: R
authors.lastname: Jin