邻氨基酚Schiff碱钴、镍双核配合物:合成、结构和抗癌活性及量化计算

Binuclear Cobalt(Ⅱ) and Nickel(Ⅱ) Complexes with o-Aminophenol Schiff Base:Syntheses,Structures,Antitumor Activity and Quantum Chemistry Calculation

分别采用水热法和溶剂挥发法合成了一个五配位的钴双核配合物[Co2(H_2O)2(L1)2(4,4′-bipy)](1)和一个镍双核配合物[Ni2(L2)2(4,4′-bipy)](2)(H2L1=邻氨基酚缩5-溴水杨醛,H2L2=邻氨基酚缩水杨醛),并经红外光谱和紫外光谱以及热重分析进行了表征。X射线单晶衍射分析表明1的晶体结构属三斜晶系P1空间群;2属于三方晶系R3空间群。采用MTT法初步研究了配体和配合物的体外抗癌活性,结果表明,1和2对人肝肿瘤细胞HEPG2和人结肠癌细胞SW620均具有增殖抑制作用。同时利用量子化学计算对配合物2进行了理论计算。

A five-coordinated binuclear cobalt（Ⅱ） complex with the formula[Co2（H2O）2（L1）2（4,4＇-bipy）] （1） （H2L1=2-hydroxybenzene （2-hydroxyl-5-nitro-phenyl-methyl） amine） was hydrothermally synthesized and a binuclear nickel（Ⅱ） complex of general formula[Ni2（L2）2（4,4＇-bipy）] （2） （H2L2=2-hydroxybenzene （2-hydroxyl-phenyl-methyl） amine） synthesized by using evaporation method, and the comlexes were characterized by IR, UV-Vis spectra and TGA. The X-ray diffraction analyses reveal that 1 crystallizes in the triclinic space group P1 while 2 in trigonal space group R3. The antitumor activity in vitro of ligands and complexes were measured by MTT method, and the results show that the complexes 1 and 2 possess inhibiting effects to HEPG2 and SW620 cancer cells lines. The quantum chemical calculation for 2 was performed by means of Gaussian 09 program at UB3LYP/6-31G（d） basis set.