title: Structure determination of [Au18(SR)14].
abstract: Unravelling the atomic structures of small gold clusters is the key to understanding the origin of metallic bonds and the nucleation of clusters from organometallic precursors. Herein we report the X-ray crystal structure of a charge-neutral [Au18(SC6H11)14] cluster. This structure exhibits an unprecedented bi-octahedral (or hexagonal close packing) Au9 kernel protected by staple-like motifs including one tetramer, one dimer, and three monomers. Until the present, the [Au18(SC6H11)14] cluster is the smallest crystallographically characterized gold cluster protected by thiolates and provides important insight into the structural evolution with size. Theoretical calculations indicate charge transfer from surface to kernel for the HOMO-LUMO transition.
authors.affiliation: Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213 (USA).
authors.forename: Anindita
authors.initials: A
authors.lastname: Das
authors.forename: Chong
authors.initials: C
authors.lastname: Liu
authors.forename: Hee Young
authors.initials: HY
authors.lastname: Byun
authors.forename: Katsuyuki
authors.initials: K
authors.lastname: Nobusada
authors.forename: Shuo
authors.initials: S
authors.lastname: Zhao
authors.forename: Nathaniel
authors.initials: N
authors.lastname: Rosi
authors.forename: Rongchao
authors.initials: R
authors.lastname: Jin
keywords: gold; nanoclusters; structure elucidation; sulfur ligands