Synthesis, crystal structure, DFT study and photocatalytic property of a new Ni(II) complex of a symmetric N2O4-donor bis-Schiff base ligand

A new complex, Ni(C 22 H 26 N 2 O 10 S 2 )·2CH 3 OH, with a sexidentate (N 2 O 4 ) symmetric bis-Schiff base ligand (C 22 H 26 N 2 O 10 S 2  = 1,2-bis(2-methoxy-6-formylphenoxy)ethane-2-aminoethane-sulfonic acid) has been synthesized and characterized by physico-chemical and spectroscopic methods . The X-ray crystal structure shows that the Ni(II) atom of the complex is six-coordinated by two nitrogens from C N groups, two oxygens from ether groups and two hydroxyl oxygens from sulfonic acid groups in the mono-ligand, forming a distorted octahedral geometry. Theoretical study of the complex is carried out by density functional theory (DFT) method and the B3LYP method employing the 6-3l+G* basis set. Moreover, the complex proved to be good candidate for the photocatalytic degradation of methylene blue .