1-甲基-1,4,7,10-四氮杂环十二烷镧配合物的合成及晶体结构

Synthesis and Crystal Structure of Lanthanum Complex of 1-Methyl -1,4,7,10-Tetraazacycl ododecane

合成了1-甲基-1,4,7,10-四氮杂环十二烷(L)配体。在乙腈中培养了La(L)(CH_3CN)-(H_2O)(CF_3SO_3)_3配合物单晶,测定了其红外光谱和质子核磁共振谱。用X射线衍射方法测定了配合物的晶体结构,该晶体属于单斜晶系,P2_1/n空间群,a=0.9700(2)nm,b=1.5966(2)nm,c=1.9085(1)nm,β=104.71(3)°,V=2.8588(50)nm^3。配合物中镧为9配位,其配位多面体为扭曲的单帽四方反棱柱体。

The complex [La (L) (CH3CN) (H2O) (CF3SO3)3] was synthesized, where L = 1-methyl-1,4,7,10-tetraazacyclododecane. The crystal structure of the complex was determined and a final R value of 0. 060 and Rw value of 0. 064 were obtained, respectively. The crystal belongs to a monoclinic system, space group is P21/n with a=0. 9700(2) nm, 6=1. 5966(2) nm, c = 1. 9085(1) nm, β= 104. 71(3)°, V = 2. 8588(50) nm3, Z = 4, Dcalc=1. 93 g/cm3. The coordination number of lanthanum ion is nine, forming a distorted monocapped square antipriosm.