An octahedral nickel(II) complex of a hexadentate N2O2S2 thioether ligand: synthesis, characterization, X-ray and electronic structure

作者：Pramanik Ajoy Kumar; Sarkar Deblina; Biswas Sujan; Mondal Tapan Kumar^*

来源：Transition Metal Chemistry, 2016, 41(8): 849-856.

DOI：10.1007/s11243-016-0087-7

A hexadentate dibasic thioether N2O2S2 donor ligand (H (2) L) and its octahedral nickel(II) complex, [Ni(L)] have been synthesized and characterized by physicochemical and spectroscopic techniques. The structures of both H (2) L and its nickel complex were confirmed by single-crystal X-ray diffraction studies. The cyclic voltammogram of the complex shows a quasi-reversible Ni(II)/Ni(III) oxidation couple (E (1/2) = 0.88 V) along with a ligand-based reduction (E (1/2) = -0.83 V). The electronic structures and electrochemical properties have been interpreted with the help of DFT calculations. The electronic transitions as calculated by TDDFT/CPCM method are used to assign the UV-Vis absorption bands.

• 出版日期2016-11