稀土氮杂大环配合物的研究(Ⅰ)——Na[Er(DOTA)·H_2O]·3H_2O的合成与晶体结构

Studies on Rare Earth Complexes of Polyaza Polycarboxylic Macrocycle (Ⅰ)——Syntheses and Crystal Structure of Na[Er(DOTA)H_2O]·3H_2O Complex

合成了1,4,7,10-四氮杂-环十二烷-1,4,7,10-四乙酸(H_4DOTA)配体,在水溶液中培养了Na[Ln(DOTA)·H_2O]·3H_2O(Ln=Er,Yb)配合物单晶,测定了其热谱和红外光谱,用X射线衍射方法测定了Na[Er(DOTA)·H_2O]·3H_2O的晶体结构,属正交晶系,空间群P2_12_12_1,Z=4,晶胞参数:α=1.5795(8)nm,b=1.5777(8)nm,c=0.9142(5)nm,V=2.278(3)nm^3,配合单元中铒为九配位,其配位多面体为单冠四方反棱柱体。

The complexes, Na[Ln(DOTA)H2O] · 3H2O were synthesized in aqueous solution (Ln = Er, Yb ; H4DOTA =1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid).The crystal structure of Na [Er (DOTA) H2O] ·3H2O was determined by four-circle X-ray diffractometer. The crystal is orthorhombic with space group P212121. The cell parameters are as follows; a=l. 5795(8) nm, 6=1. 5777(8) nm, c=0. 9142(5) nm, V = 2. 278(3) nm3, Z=4.In the crystal the Er(Ⅲ) ion is coordinated by four nitrogen atoms and four oxygen atoms from DOTA and one oxygen atom from water, so that the coordination number of Er(Ⅲ) is nine, taking a monocapped antisquare prism arrangement.