title: Crystal Structure of Barrel-Shaped Chiral Au130(p-MBT)50 Nanocluster.
abstract: We report the structure determination of a large gold nanocluster formulated as Au130(p-MBT)50, where p-MBT is 4-methylbenzenethiolate. The nanocluster is constructed in a four-shell manner, with 55 gold atoms assembled into a two-shell Ino decahedron. The surface is protected exclusively by -S-Au-S- staple motifs, which self-organize into five ripple-like stripes on the surface of the barrel-shaped Au105 kernel. The Au130(p-MBT)50 can be viewed as an elongated version of the Au102(SR)44. Comparison of the Au130(p-MBT)50 structure with the recently discovered icosahedral Au133(p-TBBT)52 nanocluster (where p-TBBT = 4-tert-butylbenzenethiolate) reveals an interesting phenomenon that a subtle ligand effect in the para-position of benzenethiolate can significantly affect the gold atom packing structure, i.e. from the 5-fold twinned Au55 decahedron to 20-fold twinned Au55 icosahedron.
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, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Chenjie
authors.initials: C
authors.lastname: Zeng
authors.affiliation: ‡Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Chong
authors.initials: C
authors.lastname: Liu
authors.forename: Kristin
authors.initials: K
authors.lastname: Kirschbaum
authors.affiliation: †Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Chakicherla
authors.initials: C
authors.lastname: Gayathri
authors.affiliation: †Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Roberto R
authors.initials: RR
authors.lastname: Gil
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