Bidentate Schiff base coordinated square planer nickel(II) complexes: Synthesis, crystal structure, DFT/TD-DFT calculation and DNA/protein binding

作者：Patra, Apu; Puschmann, Horst; Manna, Subal Chandra^*

来源：Polyhedron, 2021, 201: 115146.

DOI：10.1016/j.poly.2021.115146

• Ni(II) complexes
• Crystal structure
• DFT/TD-DFT calculation
• DNA/Protein binding

Two mononuclear square planer Ni(II) complexes, [Ni(L-1)(2)] (1) and [Ni(L-2)(2)] (2) [HL1 = 2-[(2-Methoxy-ethylimino)-methyl]-phenol; HL2 = 2-Methoxy-6-[(2-methoxy-ethylimino)-methyl]-phenol] have been synthesized and characterized through X-ray single crystal structure determination and DFT/TDDFT calculation. Both the complexes crystallize with P2(1)/c space group. C-H center dot center dot center dot pi interactions results 2D and 1D supramolecular network of complexes 1 and 2, respectively. Interaction of complexes with calf thymus DNA (CT-DNA), bovine serum albumin (BSA) and human serum albumin (HSA) were studied by using both UV-vis absorption and emission spectroscopic techniques, and the calculated values of intrinsic binding constants with CT-DNA are (1.43 +/- 0.56) x 10(6) M-1 (for 1) and (1.25 +/- 0.79) x 10(6) M-1 (for 2).