KIT | KIT-Bibliothek | Impressum | Datenschutz

The Arachno‐Zintl Ion (Sn$_{5}$Sb$_{3}$)$^{3-}$ and the Effects of Element Composition on the Structures of Isoelectronic Clusters: Another Facet of the Pseudo‐Element Concept

Wilson, Robert J.; Weigend, Florian; Dehnen, Stefanie

he pseudo‐element concept, in its most general formulation, states that isoelectronic atoms form equal numbers of bonds. Hence, clusters such as Zintl ions usually retain their structure upon isoelectronic replacement of some or all atoms. Here, a deviation from this common observation is presented, namely the formation of (Sn$_{5}$Sb$_{3}$)$^{3-}$ (1), a rare example of an eight‐vertex Zintl ion, and an unprecedented example of a Zintl ion synthesized by solution means that has an arachno‐type structure according to the Wade–Mingos rules. Three structure‐types of interest for (Sn$_{5}$Sb$_{3}$)$^{3-}$ were identified by DFT calculations: one that matched the X‐ray diffraction data, and two that that were reminiscent of fragments of known clusters. A study on the isoelectronic series of clusters, (Sn$_{x}$Sb$_{8-x}$)$^{2-x}$ (x=0–8), showed that the relative energies of these three isomers vary significantly with composition (independent of electron count) and that each is the global minimum at least once within the series.

Open Access Logo

Verlagsausgabe §
DOI: 10.5445/IR/1000122684
Veröffentlicht am 14.08.2020
DOI: 10.1002/anie.202002863
Zitationen: 4
Web of Science
Zitationen: 5
Zitationen: 6
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Nanotechnologie (INT)
Publikationstyp Zeitschriftenaufsatz
Publikationsmonat/-jahr 08.2020
Sprache Englisch
Identifikator ISSN: 1433-7851, 1521-3773
KITopen-ID: 1000122684
HGF-Programm 43.21.04 (POF III, LK 01) Molecular Engineering
Erschienen in Angewandte Chemie / International edition
Verlag John Wiley and Sons
Band 59
Heft 34
Seiten 14251–14255
Vorab online veröffentlicht am 08.07.2020
Nachgewiesen in Web of Science
KIT – Die Forschungsuniversität in der Helmholtz-Gemeinschaft
KITopen Landing Page