Structure Determination of [Au18(SR)14] |
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| Authors: | Anindita Das Chong Liu Hee Young Byun Prof Katsuyuki Nobusada Shuo Zhao Prof Nathaniel Rosi Prof Rongchao Jin |
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| Institution: | 1. Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213 (USA);2. Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15213 (USA);3. Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki, 444‐8585 (Japan);4. Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Katsura, Kyoto 615‐8520 (Japan) |
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| 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. |
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| Keywords: | gold nanoclusters structure elucidation sulfur ligands |
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