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Issue 9, 2021
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Ferromagnetic coupling in a dicopper(ii) oxamate complex bridged by carboxylate groups

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Three new air-stable coordination compounds [Cu(HL)2(H2O)2]2·2H2O (1), [Cu(HL)2]n (1a), and [Zn(HL)2(H2O)2] (2), where HL = N-(4-hydroxyphenyl)oxamate, were successfully synthesized and characterized. Single-crystal X-ray analysis reveals 1 as a dinuclear copper(II) complex, in which the metal ions are connected through the carboxylate moieties of the oxamate ligands. The crystal structure of 1a is solved using powder X-ray diffraction data and stands for an anhydrous mononuclear copper(II) oxamate complex. 2 corresponds to the first example of a mononuclear Zn2+ oxamate complex containing both ligands and water solvent molecules in the cis arrangement. The presence of a phenol group in the oxamate ligand leads to different hydrogen bond patterns in the crystal packing in 1, 1a, and 2, resulting in supramolecular 3D architectures. Magnetic measurements of 1 reveal a ferromagnetic coupling between the copper(II) ions through the carboxylate–oxamate bridge [J = +0.829 cm−1, g = 2.101, zJ = +0.154 cm−1; H = −JSCu1·SCu2, where SCu1 = SCu2 = 1/2]. DFT calculations based on the broken symmetry formalism (DFT-BS) were performed to provide insight into the magnetic behavior.

Graphical abstract: Ferromagnetic coupling in a dicopper(ii) oxamate complex bridged by carboxylate groups

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Article information

30 Nov 2020
21 Jan 2021
First published
25 Jan 2021

CrystEngComm, 2021,23, 1885-1897
Article type

Ferromagnetic coupling in a dicopper(II) oxamate complex bridged by carboxylate groups

T. T. da Cunha, C. O. C. da Silveira, V. M. M. Barbosa, W. X. C. Oliveira, E. N. da Silva Júnior, F. F. Ferreira, E. F. Pedroso and C. L. M. Pereira, CrystEngComm, 2021, 23, 1885
DOI: 10.1039/D0CE01742F

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