SYNTHESIS, CHARACTERIZATION AND COMPUTATIONAL STUDIES OF ZINC(II)-HALIDE COMPLEXES WITH A BIDENTATE SCHIFF BASE LIGAND (2,5-MeO-ba)_2En: THE CRYSTAL STRUCTURE OF (2,5-MeO-ba)_2En

摘要

In this study four coordinated complexes of zinc(II) halides with a new symmetrical bidentate Schiff base ligand (2,5-MeO-ba)_2En are synthesized and characterized. The metal to ligand ratio of the complexes is found to be 1:1 with the formula of Zn((2,5-MeO-ba)_2En)X_2 (X = Cl (1), Br (2), I (3)). The crystal structure of the Schiff base ligand (2,5-MeO-ba)_2En is determined by X-ray crystallography from single crystal data. Also, the optimized geometries of the Schiff base ligand (2,5-MeO-ba)_2En and its zinc(II) complexes are calculated using the density functional theory method (B3LYP/6-31G). The obtained structural parameters of (2,5-MeO-ba)_2En are in agreement with the experimental data.