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Janesch, Melissa ; Karttunen, Antti J. ; Gärtner, Stefanie

Icosahedral Clusters [In@Tr12]10–: Synthesis, Characterization, and Electronic Structure Investigations of Na4A6Tr13 (A = Rb, Cs; Tr = In, Tl)

Janesch, Melissa, Karttunen, Antti J. und 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.

Veröffentlichungsdatum dieses Volltextes: 18 Sep 2025 05:32
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.77757


Zusammenfassung

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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Details

DokumentenartArtikel
Titel eines Journals oder einer ZeitschriftEuropean Journal of Inorganic Chemistry
Verlag:Wiley
Datum9 September 2025
InstitutionenChemie und Pharmazie > Institut für Analytische Chemie, Chemo- und Biosensorik
Projekte
Gefördert von: Deutsche Forschungsgemeinschaft (DFG) (468336522)
Identifikationsnummer
WertTyp
10.1002/ejic.202500347DOI
Stichwörter / Keywordsclusters · density functional method calculations · indium · single crystal X-ray diffraction · thallium
Dewey-Dezimal-Klassifikation500 Naturwissenschaften und Mathematik > 540 Chemie
StatusVeröffentlicht
BegutachtetJa, diese Version wurde begutachtet
An der Universität Regensburg entstandenZum Teil
URN der UB Regensburgurn:nbn:de:bvb:355-epub-777578
Dokumenten-ID77757

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