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
Abstract
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
Contributing organizations
Related projects
- Metalli-molekyyli-rajapintojen nanorakenteet (NaMeMolnt)
- Häkkinen, Hannu
- Research Council of Finland
- NANOSTRUCTURED METAL – MOLECULE INTERFACES
- Häkkinen, Hannu
- Research Council of Finland
Ministry reporting: Yes
Reporting Year: 2021
JUFO rating: 3