Impact of Metal Salts on Coordination Chemistry of Nickel(II) with a N3O Donor Schiff Base Ligand: Synthesis, Structures and Hershfield Surface Analysis

Abstract

The key findings and significance of this report is the synthesis and characterization of two mononuclear nickel(II) complexes, [Ni(L)(val)].0.5MeOH (1) and [Ni(HL)₂](ClO₄)₂ (2) derived from a tetradentate Schiff base ligand HL and two different nickel(II) salts. These complexes were thoroughly characterized using techniques such as elemental analysis, IR spectroscopy, single crystal X-ray diffraction, and Hirshfeld surface analysis. The results revealed distinct coordination modes of the ligands in the complexes, leading to different non-covalent interactions and packing arrangements in their crystal structures. Specifically, complex 1 exhibited tetradentate coordination in addition to the bidentate o-vanillinate ligand, while complex 2 featured tridentate coordination with the zwitterionic form of the ligand. Hirshfeld surface analysis provided insights into the relative contributions of various intermolecular interactions, highlighting the significance of hydrogen bonding, tetrel bonding, and other non-covalent interactions in stabilizing the crystal structures. In general, this study contributes to the differences in structural integrity on variation in metal salts and the understanding in depth of various non-covalent interactions using Hirshfeld surface analysis tool.