Synthesis, Crystal Structure, and Photophysical Properties of Nickel Complex From Triphenylamine Schiff Base Ligand

A novel Schiff base ligand L and its mononuclear nickel complex Ni(L)(2)(SCN)(2) were designed, synthesized and characterized by elemental analysis, IR spectra, MS, H-1-NMR spectroscopy, and single-crystal X-ray diffraction analysis. The crystals of L and Ni(L)(2)(SCN)(2) belong to orthorhombic crystal system with the space group of P2(1)2(1)2(1) for L and Pbcn for Ni(L)(2)(SCN)(2), respectively. The center atom Ni(II) is coordinated with six nitrogen atoms in a distorted octahedron coordination environment. The four N atoms of them are from the two independent ligands and the other two nitrogen atoms from two SCN. Their photophysical properties of the ligand and its Ni(II) complex were investigated and interpreted on the basis of theoretical calculations (TD-DFT).