A1 Journal article (refereed)
A Homoleptic Alkynyl‐Ligated [Au13Ag16L24]3‐ Cluster as a Catalytically Active Eight‐Electron Superatom (2021)

Li, G., Hakkinen, H., Qin, Z., Sharma, S., Wan, C.-Q., Xu, W.-W., & Malola, S. (2021). A Homoleptic Alkynyl‐Ligated [Au13Ag16L24]3‐ Cluster as a Catalytically Active Eight‐Electron Superatom. Angewandte Chemie, 60(2), 970-975. https://doi.org/10.1002/anie.202011780

JYU authors or editors

Publication details

All authors or editors: Li, Gao; Hakkinen, Hannu; Qin, Zhaoxian; Sharma, Sachil; Wan, Chong-qing; Xu, Wen-wu; Malola, Sami

Journal or series: Angewandte Chemie

ISSN: 1433-7851

eISSN: 1521-3773

Publication year: 2021

Volume: 60

Issue number: 2

Pages range: 970-975

Publisher: Wiley

Publication country: Germany

Publication language: English

DOI: https://doi.org/10.1002/anie.202011780

Publication open access: Not open

Publication channel open access:

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/73963


A brand new alkynylated cluster [Au 13 Ag 16 (C 10 H 6 NO) 24 ] 3- is prepared by NaBH 4 mediated reduction method. The AuAg clusters are confirmed by various sophisticated characterization techniques. It manifested the unique metal framework of “Au center @Ag 12 @Au 12 Ag 4 ” is protected by 24 atypical alkyne ligands L (L = C 10 H 6 NO). The ligands were found to construct a unique type of motif L-(Ag)-Au-(Ag)-L at the cluster interface, where, the alkyne (C≡C) group of each L was linked by sharing an Au atom through the σ bonds and each C≡C group was discretely connected to chemically different Ag atom (Ag icosahedral /Ag cap ) through π bonds. The electronic and optical properties of [Au 13 Ag 16 L 24 ] 3- were studied in detail. DFT characterized the cluster as a clear 8-electron superatom, and peaks in the optical absorption spectrum were successfully interpreted in terms of the P and D superatom states. The supported Au 13 Ag 16 L 24 /CeO 2 catalyst exhibited high catalytic activity and selectivity towards the A 3 -coupling reaction involving benzaldehyde, diethylamine and phenylacetylene.

Keywords: clusters; catalysts; electrons; optical properties; chemical bonds; density functional theory

Free keywords: AuAg alloy cluster; alkynyl; A3-coupling; density functional theory; eight-electron superatom

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Ministry reporting: Yes

Reporting Year: 2021

JUFO rating: 3

Last updated on 2023-03-10 at 12:04