[Li3DME][(η~5-C_5H_5)_3Nd(μ-H)Nd(η~5-C_5H_5)_3]的合成及其分子结构

SYNTHESIS AND MOLECULAR STRUCTURE OF[Li3DME][(η~5-C_5H_5)_3Nd(μ-H)Nd(η5-C_5H_5)_3]

标题配合物是以THF作溶剂,通过(C_5H_5)_2NdCl·ZLiCl和甲基萘钠的还原反应合成的。其晶体属单斜晶系,P 2/c空间群,晶胞参数α=9.235(2)A,b=11.695(2)A,c=20.810(3)A,β=92.88(1)°,Z=2。研究结果表明,标题配合物由相互不相联的〔Li3DME〕^+和〔(η~5-C_5H_5)_3Nd(μ-H)Nd(η~5-C_5H_5)_3〕^-离子对组成。阳离子中,Li原子与由3个DME提供的6个O原子配位,形成八面体构型,Li—O平均键长为2.116A;阴离子中,2个Nd原子不直接键合,系通过桥H联接,Nd—H=2.19A。此外,每个Nd原子各有3个C_5H_5^-与之配位,Nd—C平均键长为2.812A。

The title complex was synthesized by reaction of (C_5H_5)_2NdCl·2LiCl with sodiumnaphthalene in THF. The crystals of the complex belong to monoclinic, space group P 2/cwith cell dimensions: a = 9.235(2), b = 11.695(2), c= 20.810(3)A,β = 92.88(1)°andZ = 2. The x-ray structural analysis shows that the title complex consists of ion pairs:(Li3DME)^+ and [(η~5-C_5H_5)_3Nd(μ-H) Nd(η~5-C_5H_5)_3]^-. In the cation species Li atom iscoordinated by six O atoms offered from three DME, forming a six-coordinated octahedronstructure with average Li-O = 2. 116A.In the anion the two Nd atoms do not bond directly,they are linked through the bridged H, Nd-H = 2.19A. Furthermore, each Nd atom issurrounded dy three cyclopentadienyl (C_5H_5)^-, and the average Nd-C bond length is2.812A.