Abstract
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, 1H-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 P212121 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).
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