离子液体(1-甲基-3-羧甲基咪唑)钴配合物的合成和晶体结构

由离子液体1-甲基-3-羧甲基咪唑硫酸氢盐(C6H9N2O2]HSO4])和氯化钴合成了一种新的配合物Co(H2O)4(C6H8N2O2)2]Cl2.2H2O;采用单晶X射线衍射方法测定了配合物的晶体结构.结果表明,所合成的配合物C12H28Cl2CoN4O10属于三斜晶系,空间群P-1,a=0.66753(5)nm,b=0.91751(6)nm,c=1.80604(13)nm,α=85.618(5)°,β=83.385(5)°,γ=83.443(5)°,V=1.08934(13)nm3,Z=2,Mr=520.23,F(000)=538,Dc=1.580g.cm-3,μ(Mo-Kα)=1.088mm-1,R1=0.0861,wR2=0.2878.单晶X射线分析结果表明,在所合成的配合物中,每个1-甲基-3-羧甲基咪唑除羧基外其它原子均位于同一平面,咪唑环带正电荷,而羧基氢原子消失;即整个1-甲基-3-羧甲基咪唑分子不带电荷.总体而言,配合物的内界Co(H2O)4(C6H8N2O2)2]2+带两个正电荷,外界游离的两个氯离子起平衡电荷作用.

Synthesis and Crystal Structure of Cobalt(Ⅱ) Complex of Ionic Liquid of 1-Methyl-3-carboxymethyl-imidazolium

A novel cobalt complex, （C6H9N2O2]HSO4]）Cl2·2H2O, was prepared by the reaction of COC12·6H2O with ionic liquid 1-methyl 3-carboxymethyl-imidazolium hydrosulfate （CGH9N2O2]HSO4]）. Its crystal structure was determined by means of single crystal X ray diffraction. Results show that the complex, C12 H28 C12CON4 O20, crystallizes in the triclinic systern and belongs to space group P-1,a=0.66753（5）Tim,b=0.91751（6）Tim,c=1.80604（13）nm,α=85.618（5）°,β=83.385（5）°,γ=83.443（5）°,V=1.08934（13）nm2,Z=2,Mc=520.23,F（000）=538,Dc=1.580g·cm-3,μ（Mo-Kα）=1.088mm-1,R1=0.0861,wR2=0.2878. The X-ray analytical results show that in the complex, all at- oms excluding carboxyl group o{ the ionic liquid 1-methyl-3-carboxymethyl-imidazole are loca- ted in the plane of imidazole-ring cation. Because imidazole-ring has a positive electric charge, and the carboxylic proton has been eliminated, the,molecule of ionic liquid 1-methyl-3-carboxy methylimidazole molecule is neutral. This means that the inner sphere of the complex has two positive charges, and the two extra chlorine anions are responsible for charge balance.