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

Francielli Sousa Santana, Matteo Briganti, Rafael A Allão Cassaro, Federico Totti, Ronny Rocha Ribeiro, David L Hughes, Giovana Gioppo Nunes, Dayane Mey Reis

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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.

Original languageEnglish
Article number25081898
JournalMolecules
Volume25
Issue number8
DOIs
Publication statusPublished - 20 Apr 2020

Keywords

  • Dinuclear copper(II)
  • Ferromagnetic interaction
  • Magnetic properties
  • Noncovalent interaction

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