三乙四胺六乙酸钆配合物的合成及晶体结构

Synthesis and Crystal Structure of Gadolinium Complex with Triethylenetetraaminehexaacetic Acid

在水溶液中合成了三乙四胺六乙酸钆配合物:K_4[Gd_2(HTTHA)_2]14H_2O的单晶,并测定了其结构.晶体属单斜晶系,P2_1/n空间群.晶胞参数:a=1.1266(5)nm,b=2.5686(4)nm,c=2.2076(8)nm,β=102.50(3)°,V=6.237(6)nm^3,Z=4,D_c=1.812g/cm^3.配合物是双核分子.每个钆离子与来自同一个三乙四胺六乙酸的3个氮原子和4个羧基氧原子,来自另一个三乙四胺六乙酸的2个羧基氧原子配位,形成三冠三角棱柱型配位多面体.

The gadolinium complex with triethylenetetraaminehexaacetic acid (abbreviated as H6TTHA), K4[Gd2 (HTTHA)2 ] ?14H2O was synthesized in aqueous solution, and its crystal structure was determined by X - ray diffraction method. The crystal is monoclinic, space groupP21/n,with a=1.1266(5)nm,6 = 2.5686(4)mn,c = 2.2076nm,β=102.50(3)°, V=6.237 (6)nm3,Z= 4, Dc = 1. 812 g/cm3. The complex is a binuclear molecule,each gadolinium ion is coordinated by three nitrogen atoms and four carboxyl oxygen atoms from one TTHA.and two carboxyl oxygen atoms from another TTHA, forming a coordination polyhedron of tricapped trigonal prism.