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(SO)(2-MeIm)(HO)]·CHOH (1). The title compound was described by X-ray single-crystal diffraction, thermal assessment, IR, and UV-vis spectroscopy. The crystal structure of is composed of segregated [Ni(SO)(2-MeIm)(HO)] 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 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 undergoes a transition to a magnetically ordered state below 6 K.