Quantenchemische Untersuchungen zur Struktur und Bindung von Zr6 in Zirconium-Clusterverbindungen |
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| Authors: | Lutz D Künne Hans-Georg Fritsche |
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| Institution: | (1) Sektion Chemie, Friedrich-Schiller-Universität Jena, Am Steiger 3, DDR-6900 Jena, Deutsche Demokratische Republik |
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| Abstract: | EHT results for the metal core Zr6 of zirconium cluster compounds are presented. In the case of CZr6I14 the influence of the interstitial atom and the ligands on the Zr–Zr distances and the chemical bond is discussed. |
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| Keywords: | Cluster compounds Zr Structure Chemical bond |
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