(C_5H_5)_2NdCl·2LiCl与正丁基锂的反应:[ Li(DME)_3][(C_5H_5)_3Nd(μ-H)Nd(C_5H_5)_3]的合成及其晶体结构  

Reaction of (C_5H_5)_2NdCl·2LiCl with n-Butyllithium: Formation and Crystal Structure of [Li(DME)_3][(C_5H_5)_3Nd(μ-H)Nd(C_5H_5)_3]

作　　者：黄丹[1] 徐凡[1] 沈琪[1] 

机构地区：[1]苏州大学化学化工学院有机合成省重点实验室,江苏苏州215006

出　　处：《中国稀土学报》2005年第4期505-508,共4页Journal of the Chinese Society of Rare Earths

基　　金：国家自然科学基金资助项目(20272040)

摘　　要：研究了(C5H5)2NdCl.2LiCl与正丁基锂在THF溶液中的反应,并从该反应液中分离到了钕的氢化物[Li(DME)3][(C5H5)3Nd(μ-H)Nd(C5H5)3]1。化合物1经X射线单晶结构测定表明属单斜晶系,空间群P21/c,晶胞参数为:a=0.9670(2)nm,b=2.1001(5)nm,c=2.1279(7)nm,β=90.89(2)°,Z=4,V=4.321(2)nm3,Mr=957.36,Dc=1.47g.cm-3,F(000)=1936,R=0.094,wR=0.100。1的晶胞中包含两个独立的晶体分子,每一分子由阴阳离子对[Li(DME)3]+和[(C5H5)3Nd(μ-H)Nd(C5H5)3]-组成。钕原子与3个η5-C5H5基团配位,且两个(C5H5)3Nd经氢桥键相连构成阴离子。Nd1-H和Nd2-H键长均为0.218(1)nm。The reaction of the THF solution of (C_5H_5)_2NdCl·2LiCl with n-butyllithium was studied and the neodymium hydride complex, [Li(DME)_3][(C_5H_5)_3Nd(μ-H)Nd(C_5H_5)_3] 1 was isolated from the reaction solution. Complex 1 was crystallized from a mixture solvent of THF-DME and structurally characterized by single crystal X-ray diffraction method at -80 ℃. The crystal is monoclinic, space group P2_1/c with unit cell dimensions a=0.9670(2) nm, b=2.1001(5) nm, c=2.1279(7) nm, β=90.89(2)°, Z=4. The structure was s...

关 键 词：环戊二烯基配合物 钕 单晶结构 稀土 

分 类 号：O627[理学—有机化学]