Abstract
A new N,N′-dipyridoxyl(1,4-butanediamine) [=H 2BS] Schiff-base ligand and its Cu(II) salen complex, [Cu(BS)(H 2O)(CH 3OH)], were synthesized and characterized by IR, UV–vis, 1H NMR, mass spectrometry and elemental analysis. Also, full optimization of the geometries, 1H NMR chemical shifts (for the H 2BS) and vibrational frequencies were calculated by using density functional theory (DFT) method. Structure of the H 2BS ligand is not planar, i.e. two pyridine rings are not in the same plane. In the structure of the Cu complex, the Schiff-base ligand acts as a dianionic tetradentate ligand in N, N, O −, O − manner. The coordinating atoms of BS 2− occupy equatorial positions of the octahedral complex, where the H 2O and CH 3OH ligands locate at axial positions. The calculated results are in good agreement with the experimental data, confirming the suitability of the proposed and optimized structures for the H 2BS ligand and its Cu complex.
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