| 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 |
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| 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。 |
| 关键词: 双核配合物 晶体结构 抗癌活性 量化计算 |
| 基金项目: 泉州师范学院学科建设资金和福建省大学生创新创业训练计划项目（No.201610399011）资助。 |
| Abstract: 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. |
| Keywords: binuclear complex crystal structure antitumor activity quantum chemistry calculation |
| 投稿时间：2017-07-17 修订日期：2017-11-03 |
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| 解庆范,郭妙莉,陈延民.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[J].无机化学学报,2018,34(2):309-316. |
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