Front Cover: K2BaSi4: Zintl Concept in Position Space
The cover shows a new silicide K2BaSi4, which may be considered a hierarchical homologous of the sodium thallide reported by Eduard Zintl (Angewandte Chemie 52(1939)1). The comparison of conceptual results with the quantum chemical analysis of chemical bonding in position space (ELI‐D) reveals charg...
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Veröffentlicht in: | Zeitschrift für anorganische und allgemeine Chemie (1950) 2023-10, Vol.649 (19) |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | The cover shows a new silicide K2BaSi4, which may be considered a hierarchical homologous of the sodium thallide reported by Eduard Zintl (Angewandte Chemie 52(1939)1). The comparison of conceptual results with the quantum chemical analysis of chemical bonding in position space (ELI‐D) reveals charge transfer from cations to silicon; the number of the ELI‐D attractors in the valence region around the Si44– anion agreeing with the expectations from the Zintl concept; the populations of the bond and ‘lone‐pair’ basins agreeing with the Zintl count for molecular species H4Si4 and deviating for K2BaSi4 solid; the sensitivity of the topology of the ELI‐D toward the geometry of the Si44− anion (DOI: 10.1002/zaac.202300116). |
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ISSN: | 0044-2313 1521-3749 |
DOI: | 10.1002/zaac.202300191 |