含螯合配体的钕配合物的晶体结构

STUDY ON CRYSTAL STRUCTURE OF NEODY-MIUM COORDINATION COMPOUND CONTAINING CHELATE GROUP

用NdCl_3,NaS_2CNEt_2和Et_4NBr为原料,在甲醇溶剂中反应,生成钕配合物,[Et_4N](Nd(S_2CNEt_2)_4]晶体,用X-射线衍射法测定了配合物的晶体结构。晶体属于单斜晶系,空间群P2_1/n晶胞参数,a=11.704(3)A,b=20.941(3)A,c=17.564(4)A,V=4242.2A^3,Z=4。结构经最小二乘方法修正后偏离因子为R=0.0564.在配合物钕离子是通过8个硫原子配位形成扭曲的NdS_3核的十二面体。井对配合物的红外线光谱和紫外可见光谱也进行了研究。

The crystal of Neodymium coordination compound,[Et4N][Nd(S2CNEt2)4]was obtained by the reaction of NdCI3,NaS2CNEt2and Et4 Br in MeOH, and the crystal structure was obtained by X-ray diffraction. The crystal belongs to space group P21/n of monoclinic system. The crystal cell parameters are a= 11.704(3)A, b = 20.941(3)A, c= 17.564(4)A, V=4242.2A and Z=4. The block least-square refinement for all structure parameters gives final discrepancy factor R = 0.0564. In coordination compound, the neodymium ion is coordinated by eight sulphur atoms adopting a distorted dodecahedral geometry of NdS8 core. The crystal has been further studied by using IR and UV-visible.