【摘要】 以N,N,N’,N’-四(2-苯并咪唑亚甲基)-1,2乙二胺(EDTB)为配体合成了Mn(EDTB)·(C6H5COO)·ClO4·3C2H6O·H2O的单核锰配合物.在乙醇溶液中得到其无色透明单晶,用X射线衍射方法对其晶体结构进行了测定.晶体学参数为:Mr=1011.41,三斜晶系,a=1.258(4)nm,b=1.314(4)nm,c=1.592(5)nm,α=105.33(5)o,β=99.75(5)o,γ=101.25(5)o,V=2.419(10)nm3,Dc=1.388Mg/cm3,Z=2,F(000)=1060,空间群为P1.对该化合物进行了紫外、红外表征及元素分析.利用G98量子化学程序包,在HF/Lan2DZ基组水平上对配合物进行了从头计算.采用经典的邻苯三酚自氧化法对配合物的生物活性进行了测定.更多还原

【Abstract】 A new Mn（Ⅱ） mononuclear complex with N, N, N’, N’- tetrakis- （2-benzimidazolylmethyl） -1, 2- ethanediamine （EDTB） was synthesized with stoichiometry of Mn（EDTB）·（C₆H₅COO）·ClO₄·3C₂H₅OH·H₂O. The colorless crystal was got from ethanol solution and the crystal structure was determined by using X-ray diffraction method. The results showed that this complex belongs to the triclinic system with a=1.258（4） nm,b=1.314（4） nm,c=1.592（5） nm,α=105.33（5）^o,β=99.75（5）^o,γ=101.25（5）^o,V=2.419（10） nm³,D_c=1.388 Mg/m³,Z=2,F（000）=1 060. The compound was characterized by UV, IR spectrum and elemental analysis. A quantum chemistry calculation using Gaussian 98 with （HF/Lanl2DZ） basis set was performed . At last, the ability of this complex to scavenge O₂^-· was tested by means of pyrogallol autoxidation.更多还原