Abstract

This study involves the preparation of a new nickel (II) complex dye [Ni-L2] and its ligand [HL]. Both materials have been characterized by elemental analyses, IR, NMR, UV-vis, X-ray crystallography, optoelectronic properties and Hirshfeld surface analysis. The spectroscopic studies on HL have revealed that it exists in two tautomeric forms (Azo - Hydrazone), in which the second tautomer was more stable. The X-ray study has indicated that a monoclinic system is present in the Ni-L2. In addition, the coordination sphere around the metal centre consisted of two oxygen atoms and two nitrogen atoms from chelating ligands to give a square planar geometry. The role of various interatomic interactions has also been evaluated and analyzed with Hirshfeld surface analysis. Finally, important optoelectronic properties such as experimental spectroscopic, optical band gaps, refractive indices, dispersion and media behavior of the nickel complex dissolved in different solvents have been extensively investigated.

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