吗啉二硫代氨基甲酸铁(Ⅲ)配合物Fe(S_2CNC_4H_8O)_3的合成、表征及晶体结构  

Crystal Structure and Characteriztion of Tris(4-morpholinecarbodithioato-S.S')iron(Ⅲ) Complex: Fe(S_2CNC_4H_8O)_3

作　　者：王瑛[1] 张建强[1] 姜涛[1] 程媛[1] 严莲荷[1] 

机构地区：[1]南京理工大学水处理研究所,南京210094

出　　处：《有机化学》2003年第7期690-693,共4页Chinese Journal of Organic Chemistry

基　　金：江苏省自然科学基金(No.99072)

摘　　要：合成了标题化合物Fe(S_2CNC_4H_8O)_3,得到黑色柱状晶体。晶体属三斜晶系,空间群为P-1,晶胞参数a=0.9300(2)nm,b=1.0490(2)nm,c=1.3710(3)nm,a=100.60(3)°,β=95.4O(3)°,γ=106.60(3)°,V=1.2445(4)nm^3,M_r=542.58,Z=2.中心Fe原子分别与来自三个吗啉二硫代氨基甲酸的六个硫原子配位形成八面体构型,由于四元螯合环的环张力,导致该八面体严重变形,六个Fe-S键的键长范围在0.2423(5)～0.2458(2)nm。热分析表明标题化合物在791.80℃完全分解。The title compound has been prepared and characterized by EA, IR and TG. The crystal structure of tris-(4-morpholinecarbodithioato-S, S')iron(Ⅲ), Fe(S2CNC4H8O)3, was determined by X-ray diffraction analysis. It crystallizes in triclinic system, space group P-1, with lattice parameters a =0.9300(2) nm, b = 1.0490(2) nm, c = 1.3710(3) nm, a = 100.60(3)°, β = 95.40(3)°, γ= 106.60(3)°, V= 1.2445(4) nm3, Mr = 542.58, Z = 2. In the structure, central Fe atom coordination geometry is distorted octahedron with the six S atoms from three bidentate [S2CNC4H8O] ligands. The octahedron is distorted as a result of forced configuration of the four-membered chelate ring. The six Fe-S bond distances are in the range of 0.2423(5) - 0.2458(2) nm. The IR spectral data are in agreement with the structural data. The TG data indicate that it decomposed completely at the 791.80 ° .

关 键 词：吗啉二硫代氨基甲酸铁(III)配合物 Fe(S2CNC4H8O)3 合成 表征 晶体结构 八面体 制备 

分 类 号：O641.4[理学—物理化学]