4-甲基-1,2,3-噻二唑-5-甲酸钕配合物的合成、晶体结构及与DNA作用  

Synthesis,Crystal Structure and DNA Binding of Neodymium Complex with 4-Methyl-1,2,3-thiadiazol-5-carboxylic Acid

作　　者：余玉叶[1,2] 俞世钢[1] 赵国良[1] 

机构地区：[1]浙江师范大学行知学院,浙江金华321004 [2]金华职业技术学院,浙江金华321007

出　　处：《中国稀土学报》2015年第6期697-704,共8页Journal of the Chinese Society of Rare Earths

基　　金：浙江省公益性技术应用研究计划项目(2014C32014)资助

摘　　要：合成了新型钕配合物[Nd(CH_3COO)(C_4H_3N_2O_2S)_2(H_2O)_2](C_4H_4N_2O_2S=4-甲基-1,2,3-噻二唑-5-甲酸),通过元素分析、红外光谱和热重分析对产物进行了表征,用单晶X射线衍射方法测定了配合物的晶体结构。配合物属于三斜晶系,空间群Pī,晶胞参数:a=0.95486(12)nm,b=1.03280(15)nm,c=1.8244(2)nm,α=92.945(7)°,β=92.582(7)°,γ=94.401(7)°,晶胞体积:V=1.7893(4)nm^3,晶胞内结构基元数Z=4,式量Mr=525.62。晶体结构分析表明,Nd(Ⅲ)分别与来自四个4-甲基-1,2,3-噻二唑-5-甲酸配体的4个羧基氧原子、2个三齿螯合桥联的醋酸根离子中的3个氧原子和2个水分子中的2个氧原子配位,形成九配位的单帽四方反棱柱的配位几何构型。用荧光光谱研究了配体和配合物与DNA之间的相互作用,结果表明,配合物的作用强于配体。A novel neodymium complex of [ Nd （ CH3 COO ） （ C4 H3 N2 02 S ） 2 （ H20 ） 2 ] （ C4 H4 N202 S = 4-methyl-l, 2,3-thiadiazol-5-carboxylic acid） was synthesized and characterized by elemental analysis, IR and TG-DTG. Its crys-tal structure was determined by single crystal X-ray diffraction. The complex crystallizes in triclinic system withspace group Pi, cell parameters： a =0. 95486（12） nm, b = 1. 03280（15） nm, c = 1. 8244（2） nm, a =92. 945（7）°,/3 = 92. 582 （7） o, y = 94. 401 （7） °, cell volume ： V = 1. 7893 （4） nm3, number of molecules inside thecell ： Z = 4, relative molecular mass ： Mr = 525.62. The crystal structure shows that the Nd（III） ion is coordinatedwith four oxygen atoms from four C4H4N202S- anions, three oxygen atoms from two tridentate bridging CH3COO -and two oxygen atoms from two coordination water molecules, forming a distorted monocapped square antipriosm co-ordination geometry, and its coordination numbers is nine. In addtion, the interaction of ligand and complex withDNA was also studied by ethidium bromide （EB） fluorescence spectroscopy, and the result shows that the bindingability of the complex is stronger than ligand.

关 键 词：4-甲基-1 2 3-噻二唑-5-甲酸 钕配合物 晶体结构 DNA 

分 类 号：O614.33[理学—无机化学]