Structure Determination of [Au18(SR)14]†
Anindita Das
Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213 (USA)
Search for more papers by this authorChong Liu
Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15213 (USA)
These authors contributed equally to this work.
Search for more papers by this authorHee Young Byun
Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213 (USA)
These authors contributed equally to this work.
Search for more papers by this authorCorresponding Author
Prof. Katsuyuki Nobusada
Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki, 444-8585 (Japan)
Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Katsura, Kyoto 615-8520 (Japan)
Katsuyuki Nobusada, Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki, 444-8585 (Japan)
Rongchao Jin, Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213 (USA)
Search for more papers by this authorShuo Zhao
Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213 (USA)
Search for more papers by this authorProf. Nathaniel Rosi
Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15213 (USA)
Search for more papers by this authorCorresponding Author
Prof. Rongchao Jin
Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213 (USA)
Katsuyuki Nobusada, Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki, 444-8585 (Japan)
Rongchao Jin, Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213 (USA)
Search for more papers by this authorAnindita Das
Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213 (USA)
Search for more papers by this authorChong Liu
Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15213 (USA)
These authors contributed equally to this work.
Search for more papers by this authorHee Young Byun
Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213 (USA)
These authors contributed equally to this work.
Search for more papers by this authorCorresponding Author
Prof. Katsuyuki Nobusada
Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki, 444-8585 (Japan)
Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Katsura, Kyoto 615-8520 (Japan)
Katsuyuki Nobusada, Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki, 444-8585 (Japan)
Rongchao Jin, Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213 (USA)
Search for more papers by this authorShuo Zhao
Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213 (USA)
Search for more papers by this authorProf. Nathaniel Rosi
Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15213 (USA)
Search for more papers by this authorCorresponding Author
Prof. Rongchao Jin
Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213 (USA)
Katsuyuki Nobusada, Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki, 444-8585 (Japan)
Rongchao Jin, Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213 (USA)
Search for more papers by this authorR.J. acknowledges financial support from the U.S. Department of Energy-Office of Basic Energy Sciences, grant DE-FG02-12ER16354. K.N. acknowledges financial support from MEXT (Japan), Grant-in-Aid No. 25288012, and from ESICB. We thank Zhongrui Zhou for assistance in ESI-MS analysis.
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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