Direkt zum Inhalt

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)

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.



Involved Institutions


Details

Item typeArticle
Journal or Publication TitleEuropean Journal of Inorganic Chemistry
PublisherWiley
Open Access TypeDEAL (Wiley)
Date9 September 2025
Date of publication18 Sep 2025 05:32
InstitutionsChemistry and Pharmacy > Institut für Analytische Chemie, Chemo- und Biosensorik
Projects
Funded by: Deutsche Forschungsgemeinschaft (DFG) (468336522)
Identification Number
ValueType
10.1002/ejic.202500347DOI
Keywordsclusters · density functional method calculations · indium · single crystal X-ray diffraction · thallium
Dewey Decimal Classification500 Science > 540 Chemistry & allied sciences
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgPartially
URN of the UB Regensburgurn:nbn:de:bvb:355-epub-777578
Item ID77757

Export bibliographical data

Owner only: item control page

nach oben