四氮杂环十二烷铒配合物的合成及其晶体结构

氮气保护下, 在无水乙腈中合成了1, 4, 7, 10-四氮杂环十二烷(Cyclen)与稀土铒的配合物并得到浅红色棱柱状晶体。元素分析结果表明该配合物的组成为Er(Cyclen)(CF3SO3)3(CH3CN)。用X射线衍射方法研究了其单晶结构。晶体属单斜晶系, P21/a空间群。晶胞参数为a=1.7335(4), b=1.8027(4),c=0.8772(3)nm, β=97.64(3)°, V=2.7171(2)nm^3, Z=4。其中铒为八配位,形成四方反棱柱型配位多面体。

Synthesis and crystal structure of [Er(Cyclen)(CF3SO3)3(CH3CN)] complex

The title complex has been synthesized in acetonitrilesolution under N2 protection, and its crystal structure has been determined by X-ray diffraction method. The crystal belongs to monoclinic space group P21/a. The cell parameters are a=1.7335(4), =1.8027(4), c=0.8772(3)nm, β=97.64(3)°, V=2.7171(2)nm^3, Z=4. The central ion Er^3^+ is coordinated by four nitrogen atoms from 1, 4, 7, 10- tetraazacyclododecane (Cyclen), three oxygen atoms of three CF3SO3^- and a nitrogen atom of a acetonitrile molecule. The coordination number is eight and the complex takes a coordination polyhedron of square antiprism. The bonds between Er^3^+ and O is much stronger than Er-N (Cyclen) and Er-N (acetonitrile), and their average bond lengths are 0.2316nm, 0.2468nm and 0.2510nm, respectively.