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Icosahedral Clusters [In@Tr12]10–: Synthesis, Characterization, and Electronic Structure Investigations of Na4A6Tr13 (A = Rb, Cs; Tr = In, Tl)
Article
Janesch, Melissa, Karttunen, Antti J. and Gärtner, Stefanie
(2025)
Icosahedral Clusters [In@Tr12]10–: Synthesis, Characterization, and Electronic Structure Investigations of Na4A6Tr13 (A = Rb, Cs; Tr = In, Tl).
European Journal of Inorganic Chemistry.
DOI to cite this document: 10.5283/epub.77757
Abstract
While thallium forms several clusters in alkali metal thallides, indium clusters in related alkali metal indides are very rare. Here the mixing of the heavy trielides indium and thallium to approximate icosahedral entities present in Na4A6Tr13 (A = K, Rb, Cs; Tr = In, Tl) is reported. Experimental results prove that at least up to 76% indium can be introduced in this structure type. From the ...
While thallium forms several clusters in alkali metal thallides, indium clusters in related alkali metal indides are very rare. Here the mixing of the heavy trielides indium and thallium to approximate icosahedral entities present in Na4A6Tr13 (A = K, Rb, Cs; Tr = In, Tl) is reported. Experimental results prove that at least up to 76% indium can be introduced in this structure type. From the moment indium is provided, the central atom of the icosahedral unit changes from thallium to indium, while the vertices of the cluster are mixed occupied by both, thallium and indium. The bonding and energetics of the compounds are investigated with quantum chemical methods.
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| Item type | Article | ||||
| Journal or Publication Title | European Journal of Inorganic Chemistry | ||||
| Publisher | Wiley | ||||
| Open Access Type | DEAL (Wiley) | ||||
| Date | 9 September 2025 | ||||
| Date of publication | 18 Sep 2025 05:32 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Analytische Chemie, Chemo- und Biosensorik | ||||
| Projects |
Funded by:
Deutsche Forschungsgemeinschaft (DFG)
(468336522)
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| Identification Number |
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| Keywords | clusters · density functional method calculations · indium · single crystal X-ray diffraction · thallium | ||||
| Dewey Decimal Classification | 500 Science > 540 Chemistry & allied sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Partially | ||||
| URN of the UB Regensburg | urn:nbn:de:bvb:355-epub-777578 | ||||
| Item ID | 77757 |
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