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dc.contributor.authorBloomfield, Hannah R.
dc.contributor.authorHollett, Joshua W.
dc.contributor.authorRitch, Jamie S.
dc.date.accessioned2021-06-30T13:53:40Z
dc.date.available2021-06-30T13:53:40Z
dc.date.issued2021-06
dc.identifier.citationBloomfield, H. R., Hollett, J. W., & Ritch, J. S. (2021). Acta Cryst. C77, 391-394.en_US
dc.identifier.urihttps://hdl.handle.net/10680/1955
dc.description.abstractThe solid-state structure of the new compound mu-oxido-bis[dichloridotris(tetrahydrofuran-kappa-O)titanium(III)], [Ti2Cl4O(C4H8O)6], at 150 K has been determined. The crystal has monoclinic (C2/c) symmetry and the complex features C2 symmetry about the bridging O atom. Positional disorder is evident in one of the three tetrahydrofuran environments. A post-Hartree–Fock computational analysis indicates that the complex has nearly degenerate triplet and singlet spin states, with the former favoured slightly by ca 2 kJ mol-1.en_US
dc.description.sponsorshipFunding for this research was provided by: Natural Sciences and Engineering Research Council of Canada (grant No.RGPIN-2019-06725).en_US
dc.description.urihttps://doi.org/10.1107/S2053229621006094en_US
dc.language.isoenen_US
dc.publisherInternational Union of Crystallographyen_US
dc.rightsinfo:eu-repo/semantics/restrictedAccessen_US
dc.subjecttitanium(III), bimetallic complex, coordination compound, crystal structure, computational modellingen_US
dc.titleCrystal structure and computational study of an oxo-bridged bis-titanium(III) complexen_US
dc.typeArticleen_US
dc.rights.licenseAuthor(s) of this article may load this reprint on their own web site or institutional repository provided that this cover page is retained. Republication of this article or its storage in electronic databases other than as specified above is not permitted without prior permission in writing from the IUCr.en_US
dc.identifier.doi10.1107/S2053229621006094en_US


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