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Open AccessArticle

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

1
Departamento de Química e Biologia, Universidade Tecnológica Federal do Paraná, Cidade Industrial, Curitiba 81280-340, Brazil
2
Departamento de Química, Universidade Federal do Paraná, Centro Politécnico, Jardim das Américas, Curitiba 81531-980, Brazil
3
Instituto de Química, Universidade Federal do Rio de Janeiro, Rio de Janeiro 21941-909, Brazil
4
Dipartimento di Chimica “U. Schiff” and UdR INSTM Università degli Studi di Firenze, Via della Lastruccia 3-13, 50019 Sesto Fiorentino, Italy
5
School of Chemistry, University of East Anglia, Norwich NR4 7TJ, UK
*
Author to whom correspondence should be addressed.
Academic Editors: Barbara Modec and Anan Yaghmur
Molecules 2020, 25(8), 1898; https://doi.org/10.3390/molecules25081898
Received: 25 March 2020 / Revised: 12 April 2020 / Accepted: 14 April 2020 / Published: 20 April 2020
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. View Full-Text
Keywords: dinuclear copper(II); ferromagnetic interaction; magnetic properties; noncovalent interaction dinuclear copper(II); ferromagnetic interaction; magnetic properties; noncovalent interaction
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MDPI and ACS Style

Santana, F.S.; Briganti, M.; Cassaro, R.A.A.; Totti, F.; Ribeiro, R.R.; Hughes, D.L.; Nunes, G.G.; Reis, D.M. An Oxalate-Bridged Copper(II) Complex Combining Monodentate Benzoate, 2,2′-bipyridine and Aqua Ligands: Synthesis, Crystal Structure and Investigation of Magnetic Properties. Molecules 2020, 25, 1898.

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