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Bonding effects and the crystal structures of (NH4)(2)[Cu(H2O)(6)](SO4)(2) and its (H2O)-O-18 substituted form at 9.5 K
journal contributionposted on 2023-05-16, 12:10 authored by Figgis, BN, Sobolev, AN, Simmons, CJ, Hitchman, MA, Stratemeier, H, Riley, MJ
The crystal structures of the Tutton salts (NH4)2-[Cu(H2O)6](SO 4)2, diammonium hexaaquacopper disulfate, formed with normal water and isotopically substituted H2 18O, have been determined by X-ray diffraction at 9.5 K and are very similar, with Cu - O(7) the longest of the Cu - O bonds of the Jahn-Teller distorted octahedral [Cu(H2O)6]2+ complex. It is known that structural differences accompany deuteration of (NH4)2[Cu(H2O)6](SO 4)2, the most dramatic of which is a switch to Cu - O(8) as the longest such bond. The present result suggests that the structural differences are associated with hydrogen-bonding effects rather than with increased mass of the water ligands affecting the Jahn-Teller coupling. The Jahn-Teller distortions and hydrogen-bonding contacts in the compounds are compared with those reported for other Tutton salts at ambient and high pressure.
Publication titleActa Crystallographica. Section B
Department/SchoolSchool of Natural Sciences
PublisherInternational Union of Crystallography
Place of publicationUK