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Water Dissociation of a Dinuclear Bis(3,5-dimethylpyrazolyl)methane Copper(II) Complex: X-ray Diffraction Structure, Magnetic Properties, and Characteristic Absorption of the (CuN2Cl2)2 Core

dc.contributor.authorTorres J.F.
dc.contributor.authorBello-Vieda N.J.
dc.contributor.authorMacías M.A.
dc.contributor.authorMuñoz-Castro A.
dc.contributor.authorRojas-Dotti C.
dc.contributor.authorMartínez-Lillo J.
dc.contributor.authorHurtado J.
dc.date.accessioned2020-09-02T22:29:19Z
dc.date.available2020-09-02T22:29:19Z
dc.date.issued2018
dc.identifier10.1002/ejic.201800478
dc.identifier.citation2018, 32, 3644-3651
dc.identifier.issn14341948
dc.identifier.urihttps://hdl.handle.net/20.500.12728/6411
dc.descriptionA complex of formula [{CuCl{H2C(3,5-Me2pz)}}2(µ-Cl)2] (1) is obtained and its structure is determined by single-crystal X-ray diffraction crystallography, revealing dinuclear character supporting a (CuN2Cl2)2 core. Compound 1 undergoes water dissociation that generates a change in the coordination sphere of the metals, yielding a mononuclear CuII complex of the formula [CuCl{H2C(3,5-Me2pz)2}2]Cl·3H2O (2), as supported by LeBail analysis and visible absorption spectroscopy. Interestingly, the optical features of 1 unravel characteristic patterns in the absorption spectrum, attributed solely to the formation of the (CuN2Cl2)2 core. The study of the magnetic properties of 1 reveals weak antiferromagnetic exchange coupling between the two CuII ions that is transmitted through the double-chloro bridge, which is supported by broken-symmetry DFT calculations. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
dc.language.isoen
dc.publisherWiley-VCH Verlag
dc.subjectAntiferromagnetic coupling
dc.subjectCopper
dc.subjectCu2Cl2 absorption
dc.subjectDensity functional calculations
dc.subjectWater splitting
dc.titleWater Dissociation of a Dinuclear Bis(3,5-dimethylpyrazolyl)methane Copper(II) Complex: X-ray Diffraction Structure, Magnetic Properties, and Characteristic Absorption of the (CuN2Cl2)2 Core
dc.typeArticle


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