The Complex Amide K2[Zr(NH2)6] |
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| Authors: | Dr Florian Kraus Sebastian A Baer Antti J Karttunen |
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| Institution: | 1. AG Fluorchemie, Department Chemie, Technische Universit?t München, Lichtenbergstrasse 4, 85747 Garching, Germany;2. University of Eastern Finland, Department of Chemistry, P.O. Box 111, 80101 Joensuu, Finland |
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| Abstract: | We present the low‐temperature synthesis of potassium hexaamido zirconate(IV) from the transition metal tetrafluoride and thealkali metal dissolved in liquid ammonia at –40 °C. Potassium hexaamido zirconate(IV) K2Zr(NH2)6] is the first ternary amide reported for elements of group 4 of the periodic table It crystallizes with a novel structure type in the trigonal space group R$\bar{3}$ c with a = 6.5422(2) Å, c = 32.824(2) Å, V = 1216.66(9) Å3, Z = 6 and c/a = 5.017. The structure can be derived from the K2PtCl6 type. The compound contains discrete D3‐symmetric Zr(NH2)6]2– anions which differ significantly from octahedral shape. Quantum chemical calculations show the distortion to arise from a splitting of degenerate d‐orbitals on the zirconium atom leading to a significant gain in energy. |
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| Keywords: | Liquid ammonia Amides Zirconium Structure elucidation Quantum chemistry |
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