Synthesis, characterization and self assembly of dinuclear zinc Schiff base complexes: A combined experimental and theoretical study

Two new dinuclear zinc(II) complexes, [(DMSO)Zn(L-1)Zn(NCS)(2)] (1) and [ClZn(L-2)ZnCl(H2O)].2CH(3)OH (2), using two different Schiff base ligands, {H2L1 = 2,2'- [(2,2-Dimethyl-1,3-propanediyl)bis(nitrilomethylidyne)]bis[4-bromo-6-methoxyphenol] and H2L2 = 2,2'-[(2,2-Dimethyl-1,3-propanediyl)bis(nitrilomethylidyne)]bis[6-ethoxyphenol]}, have been synthesized and characterized by different spectroscopic techniques. The structure guiding non-covalent interactions observed in the solid-state structure of both complexes have been analyzed using DFT calculations, MEP surface analysis, and QTAIM/NCIplot computational tools. The differences in the crystal packing and non-covalent interactions have also been studied using hirshfeld surface analyses and energy frameworks.