Comprehensive Exploration of Optics and Magnetism in a Hydrothermally Synthesized Nickel(II) Complex

The hydrothermal reaction of 2-MeIm (2-MeIm: 2-methylimidazole) with nickel sulfate hexahydrate in methanol afforded a mononuclear complex formulated as [Ni(SO₄)(2-MeIm)₂(H₂O)₃]·CH₃OH (1). The title compound was described by X-ray single-crystal diffraction, thermal assessment, IR, and UV-vis spectroscopy. The crystal structure of 1 is composed of segregated [Ni(SO₄)(2-MeIm)₂(H₂O)₃] neutral entities and a solvent methanol molecule. Two (2-MeIm) ligands, a sulfate group, and a water molecule reside in the equatorial positions of the vertices in this 6-fold coordination. Two aqua ligands lay in the apical positions, resulting in a subtly distorted octahedral framework, as was supported by spectroscopic analysis. The complex’s self-assembly is firmly governed by robust O-H···O/N-H···O interactions. Further details on these bonds have been furnished via Hirshfeld surface scrutiny and 2D fingerprint plots. As proven by TGA/DSC analysis, raising the temperature of 1 above 60 °C instigates progressive decomposition stages, which culminates in the production of metal oxide as the ultimate product at 700 °C. The optical analysis suggests the dielectric nature of the material with large direct and indirect gap energies of 5.25 and 4.96 eV, respectively. The results of magnetic studies suggest that 1 undergoes a transition to a magnetically ordered state below 6 K.