Unexpected structures of the Au <subscript>17</subscript> gold cluster: the stars are shining.
In: Chemical communications (Cambridge, England), Jg. 58 (2022-05-10), Heft 38, S. 5785-5788
academicJournal
Zugriff:
The Au 17 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 Au 17 Kr. DFT and coupled-cluster theory PNO-LCCSD(T)-F12 computations reveal that, at odds with most previous reports, Au 17 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 Au 12 core with a five-Au-atom string.
Titel: |
Unexpected structures of the Au <subscript>17</subscript> gold cluster: the stars are shining.
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Autor/in / Beteiligte Person: | Nhat, PV ; Si, NT ; Kiselev, VG ; Fielicke, A ; Pham, HT ; Nguyen, MT |
Zeitschrift: | Chemical communications (Cambridge, England), Jg. 58 (2022-05-10), Heft 38, S. 5785-5788 |
Veröffentlichung: | Cambridge : Royal Society of Chemistry, 2022 |
Medientyp: | academicJournal |
ISSN: | 1364-548X (electronic) |
DOI: | 10.1039/d2cc00891b |
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