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  Unexpected structures of the Au17 gold cluster: the stars are shining

Nhat, P. V., Si, N. T., Kiselev, V. G., Fielicke, A., Pham, H. T., & Nguyen, M. T. (2022). Unexpected structures of the Au17 gold cluster: the stars are shining. Chemical Communications, 58(38), 5785-5788. doi:10.1039/d2cc00891b.

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Item Permalink: https://hdl.handle.net/21.11116/0000-000A-65FE-7 Version Permalink: https://hdl.handle.net/21.11116/0000-000F-1C40-A
Genre: Journal Article

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 Creators:
Nhat, Pham Vu1, Author
Si, Nguyen Thanh1, Author
Kiselev, Vitaly G.2, 3, Author
Fielicke, André4, Author           
Pham, Hung Tan5, Author
Nguyen, Minh Tho6, Author
Affiliations:
1Department of Chemistry, Can Tho University, Can Tho, Vietnam , ou_persistent22              
2Novosibirsk State University, 1 Pirogova Str., 630090 Novosibirsk, Russia , ou_persistent22              
3Institute of Chemical Kinetics and Combustion SB RAS, 3 Institutskaya Str., 630090 Novosibirsk, Russia , ou_persistent22              
4Molecular Physics, Fritz Haber Institute, Max Planck Society, ou_634545              
5Department of Chemistry, KU Leuven, Celestijnenlaan 200F, 3001 Leuven, Belgium , ou_persistent22              
6Institute for Computational Science and Technology (ICST), Ho Chi Minh City, Vietnam , ou_persistent22              

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 Abstract: The Au17 gold cluster was experimentally produced in the gas phase and characterized by its vibrational spectrum recorded using far-IR multiple photon dissociation (FIR-MPD) of Au17Kr. DFT and coupled-cluster theory PNO-LCCSD(T)-F12 computations reveal that, at odds with most previous reports, Au17 prefers two star-like forms derived from a pentaprism added by two extra Au atoms on both top and bottom surfaces of the pentaprism, along with five other Au atoms each attached on a lateral face. A good agreement between calculated and FIR-MPD spectra indicates a predominant presence of these star-like isomers. Stabilization of a star form arises from strong orbital interactions of an Au12 core with a five-Au-atom string.

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Language(s): eng - English
 Dates: 2022-02-132022-04-042022-04-042022-05-11
 Publication Status: Issued
 Pages: 4
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1039/d2cc00891b
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Title: Chemical Communications
  Abbreviation : Chem. Commun.
Source Genre: Journal
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Publ. Info: Cambridge, UK : Royal Society of Chemistry
Pages: 4 Volume / Issue: 58 (38) Sequence Number: - Start / End Page: 5785 - 5788 Identifier: ISSN: 1359-7345
CoNE: https://pure.mpg.de/cone/journals/resource/954928495413