A1 Journal article (refereed)
Solubility‐Driven Isolation of a Metastable Nonagold Cluster with Body‐Centered Cubic Structure (2020)

Shen, H., Selenius, E., Ruan, P., Li, X., Yuan, P., Lopez-Estrada, O., Malola, S., Lin, S., Teo, B. K., Häkkinen, H., & Zheng, N. (2020). Solubility‐Driven Isolation of a Metastable Nonagold Cluster with Body‐Centered Cubic Structure. Chemistry : A European Journal, 26(38), 8465-8470. https://doi.org/10.1002/chem.202001753

JYU authors or editors

Publication details

All authors or editors: Shen, Hui; Selenius, Elli; Ruan, Pengpeng; Li, Xihua; Yuan, Peng; Lopez-Estrada, Omar; Malola, Sami; Lin, Shuichao; Teo, Boon K.; Häkkinen, Hannu; et al.

Journal or series: Chemistry : A European Journal

ISSN: 0947-6539

eISSN: 1521-3765

Publication year: 2020

Volume: 26

Issue number: 38

Pages range: 8465-8470

Publisher: Wiley-VCH Verlag

Publication country: Germany

Publication language: English

DOI: https://doi.org/10.1002/chem.202001753

Publication open access: Not open

Publication channel open access:

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/68671


The conventional synthetic methodology of atomically precise gold nanoclusters using reduction in solutions offers only thermodynamically most stable nanoclusters. We report herein a solubility‐driven isolation strategy to access the synthesis of a metastable gold cluster. The cluster, with the composition of [Au 9 (PPh 3 ) 8 ] + ( 1 ), displays an unusual, nearly perfect body‐centered‐cubic (bcc) structure. As revealed by ESI‐MS and UV/Vis measurement, the cluster is metastable in solution and converts to the well‐known [Au 11 (PPh 3 ) 8 Cl 2 ] + ( 2 ) within just 90 min. DFT calculations revealed that while both 1 and 2 are eight‐electron superatoms, there is a driving force to convert 1 to 2 as shown by the increased cohesion and larger HOMO‐LUMO energy gap of 2 . The isolation and crystallization of the metastable gold cluster were achieved in a biphasic reaction system in which reduction of gold precursors and crystallization of 1 took place concurrently. This synthetic protocol represents a successful strategy for investigations of other metastable species in metal nanocluster chemistry.

Keywords: gold; nanoparticles; clusters

Free keywords: gold; nanocluster; metastable compounds; Au9; cluster transformation

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Ministry reporting: Yes

Reporting Year: 2020

JUFO rating: 2

Last updated on 2022-14-09 at 12:07