An Oxalate-Bridged Copper(II) Complex Combining Monodentate Benzoate, 2,2'-bipyridine and Aqua Ligands:Synthesis, Crystal Structure and Investigation of Magnetic Properties

Santana, Francielli Sousa, Briganti, Matteo, Cassaro, Rafael A Allão, Totti, Federico, Ribeiro, Ronny Rocha, Hughes, David L, Nunes, Giovana Gioppo and Reis, Dayane Mey (2020) An Oxalate-Bridged Copper(II) Complex Combining Monodentate Benzoate, 2,2'-bipyridine and Aqua Ligands:Synthesis, Crystal Structure and Investigation of Magnetic Properties. Molecules, 25 (8). ISSN 1420-3049

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Abstract

A dinuclear copper(II) complex of formula [{Cu(bipy)(bzt)(OH2)}2(μ-ox)] (1) (where bipy = 2,2'-bipyridine, bzt = benzoate and ox = oxalate) was synthesised and characterised by diffractometric (powder and single-crystal XRD) and thermogravimetric (TG/DTG) analyses, spectroscopic techniques (IR, Raman, electron paramagnetic resonance spectroscopy (EPR) and electronic spectroscopy), magnetic measurements and density functional theory (DFT) calculations. The analysis of the crystal structure revealed that the oxalate ligand is in bis(bidentate) coordination mode between two copper(II) centres. The other four positions of the coordination environment of the copper(II) ion are occupied by one water molecule, a bidentate bipy and a monodentate bzt ligand. An inversion centre located on the ox ligand generates the other half of the dinuclear complex. Intermolecular hydrogen bonds and π-π interactions are responsible for the organisation of the molecules in the solid state. Molar magnetic susceptibility and field dependence magnetisation studies evidenced a weak intramolecular-ferromagnetic interaction (J = +2.9 cm-1) between the metal ions. The sign and magnitude of the calculated J value by density functional theory (DFT) are in agreement with the experimental data.

Item Type: Article
Uncontrolled Keywords: dinuclear copper(ii),ferromagnetic interaction,magnetic properties,noncovalent interaction,analytical chemistry,chemistry (miscellaneous),molecular medicine,pharmaceutical science,drug discovery,physical and theoretical chemistry,organic chemistry ,/dk/atira/pure/subjectarea/asjc/1600/1602
Faculty \ School: Faculty of Science > School of Chemistry
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Depositing User: LivePure Connector
Date Deposited: 01 May 2020 00:06
Last Modified: 09 Jul 2020 00:04
URI: https://ueaeprints.uea.ac.uk/id/eprint/74924
DOI: 10.3390/molecules25081898

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