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Phase relationships in homoleptic complexes of XeF2
Lewis A Clough1,2, Kristian Radan3, Dominik Daisenberger2
1EaStCHEM School of Chemistry and Centre for Science at Extreme Conditions, University of Edinburgh, King's Buildings, West Mains Road, Edinburgh, EH9 3FJ, United Kingdom.
None:
The structural behaviour of homoleptic xenon difluoride (XeF2) complexes [M(XeF2)6][SbF6]2 (M = Cu, Zn) under varying temperature and pressure has been investigated, aiming to resolve the disordered Jahn-Teller distortions in the copper complex (CuSb). At 200 K, both CuSb and its zinc analogue (ZnSb) crystallize in a layered CdCl2-type structure with the space group R3. Upon cooling below 170 (CuSb) and 160 K (ZnSb), both systems transition to isostructural phases in P1, with CuSb assuming an ordered Jahn-Teller distortion. The transformation is driven by the shortening and optimization of the Xe...F intermolecular contacts, forming stronger and more directional interactions, rather than by Jahn-Teller effects alone. This is supported by the observation of similar transitions in the Jahn-Teller-inactive Zn system. High-pressure experiments up to ∼2.8 GPa at room temperature show the structural stability of the high-symmetry phases, implicating kinetic barriers to further transformation. Additionally, the synthesis and structural characterization of a novel arsenic analogue, [Zn(XeF2)6][AsF6]2 (ZnAs), reveal similar layered motifs but distinct phase behaviour. Symmetry-mode analyses relate all observed phases through distortions of a common CdCl2 aristotype.
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