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Structure Determination of [Au 18 (SR) 14 ]
Author(s) -
Das Anindita,
Liu Chong,
Byun Hee Young,
Nobusada Katsuyuki,
Zhao Shuo,
Rosi Nathaniel,
Jin Rongchao
Publication year - 2015
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201410161
Subject(s) - crystallography , cluster (spacecraft) , tetramer , dimer , chemistry , octahedron , crystal structure , transition metal , nucleation , chemical physics , materials science , catalysis , biochemistry , enzyme , organic chemistry , computer science , programming language
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 [Au 18 (SC 6 H 11 ) 14 ] cluster. This structure exhibits an unprecedented bi‐octahedral (or hexagonal close packing) Au 9 kernel protected by staple‐like motifs including one tetramer, one dimer, and three monomers. Until the present, the [Au 18 (SC 6 H 11 ) 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.