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：Huang Dan Xu Fan Shen Qi 

机构地区：[1]Key Laboratory of Organic Synthesis, Department of Chemistry and Chemical Engineering, Suzhou University, Suzhou 215006, China

出　　处：《Journal of Rare Earths》2005年第4期I0010-I0010,共1页稀土学报（英文版）

摘　　要：The reaction of the THF solution of （C5H5）2NdCl· 2LiCl with n-butyllithium was studied and the neodymium hydride complex, [ Li （ DME ）3 ] [ （C5H5）3Nd （μ-H） Nd （ C5H5 ）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 P21/c with unit cell dimensions a = 0.9670（2） nm, b =2.1001（5） nm, c=2.1279（7） nm, β=9.089（2）°, Z = 4. The structure was solved by heavy atom method and refined by the least-squares method to a final R = 0.094. The complex consists of disconnected ion pairs of [ Li （ DME ）3 ]^＋ and [ （ C5H5 ）3Nd （μ-H） Nd （C5H5）3]^-. The neodymium atom is coordinated by three η5-cyclopentadienyls, and two （C5H5）3Nd species are connected by one hydrogen bridge to form the anion with Nd-H 0.218（1） nm.The reaction of the THF solution of （C5H5）2NdCl· 2LiCl with n-butyllithium was studied and the neodymium hydride complex, [ Li （ DME ）3 ] [ （C5H5）3Nd （μ-H） Nd （ C5H5 ）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 P21/c with unit cell dimensions a = 0.9670（2） nm, b =2.1001（5） nm, c=2.1279（7） nm, β=9.089（2）°, Z = 4. The structure was solved by heavy atom method and refined by the least-squares method to a final R = 0.094. The complex consists of disconnected ion pairs of [ Li （ DME ）3 ]^＋ and [ （ C5H5 ）3Nd （μ-H） Nd （C5H5）3]^-. The neodymium atom is coordinated by three η5-cyclopentadienyls, and two （C5H5）3Nd species are connected by one hydrogen bridge to form the anion with Nd-H 0.218（1） nm.

关 键 词：cyclopentadienyl complexes NEODYMIUM single crystal structure rare earths 

分 类 号：O614.111[理学—无机化学]