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

摘要

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(H2O)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Pi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 P(1) while 2 in trigonal space group R(3).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.CCDC:1440518,1;1432468,2.