Structure Determination of [Au18(SR)14]1. Issue 10 (23rd January 2015)

• Record Type: Journal Article
• Authors: Das, Anindita; Liu, Chong; Byun, Hee Young; Nobusada, Katsuyuki; Zhao, Shuo; Rosi, Nathaniel; Jin, Rongchao
• Is Part Of: Angewandte Chemie international edition. Volume 54:Issue 10(2015)
• Page Start: 3140
• Page End: 3144
• Publication Date: 2015-01-23
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.201410161
• Languages: English
• ISSNs: 1433-7851

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>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.</p> </abstract>