La(Ⅲ)、Nd(Ⅲ)与甜菜碱类衍生物形成的包含(H2O)6分子簇的配合物的晶体结构
Crystal and Molecular Structures of La(Ⅲ) and Nd(Ⅲ) with Bidentate Betaine Derivative 1,5-Bis(3-carboxypyridiniuties )-N-methyl-diethylamine Containing (H2O)6 Clusters
作者单位E-mail
周业芳 天津大学理学院化学系, 天津 300072  
李松林 天津大学理学院化学系, 天津 300072 slli@tju.edu.cn 
刘雪佳 北京航空材料研究院, 北京 100095  
摘要: 利用配体1,5-二(3-羧基吡啶基)-N-甲基二乙胺(L)合成2种稀土金属配合物{[La2L4(H2O)2](ClO46·6H2O}n1)和[Nd2L4(DMF)6(H2O)2]2(ClO46·4H2O(2)。用红外光谱和X-射线单晶衍射表征配合物的晶体结构。结构分析表明:配合物1属于三斜晶系,P1空间群,其晶胞参数为a=1.4966(3)nm,b=1.5597(4)nm,c=1.9568(4)nm,α=86.776(6)°,β=77.723(7)°,γ=87.168(7)°,Z=2。在配合物1中,一对La(Ⅲ)原子被2个羧基桥联,形成双核结构;双核结构进一步被羧基连接,从而形成平行于c轴的一维链。值得注意的是配合物1的晶体结构中包含着由氢键连接的6个H2O分子组成的水分子簇。配合物2属于三斜晶系,P1空间群,晶胞参数为a=1.0408(4)nm,b=1.3541(5)nm,c=2.975(1)nm,α=94.390(8)°,β=91.720(7)°,γ=95.230(4)°,Z=2。配合物2中4个羧基连接一对Nd(Ⅲ)原子,形成四轮状结构,其中2个羧基采取syn-syn双原子桥联模式,而其余2个羧基则采取单原子桥联模式。
关键词: 双齿甜菜碱类衍生物  La(Ⅲ)配位化合物  Nd(Ⅲ)配位化合物  (H2O)6分子簇  分子夹
基金项目: 
Abstract: Two lanthanide coordination compounds of the bidentate betaine derivative 1,5-bis(3-carboxypyri-diniuties)-N-methyl-diethylamine (L), namely, {[La2L4(H2O)2](ClO4)6·6H2O}n (1) and [Nd2L4(DMF)6(H2O)2]2(ClO4)6·4H2O (2) have been prepared and characterized by infrared spectrum (IR) and single crystal X-Ray structure analysis. Both 1 and 2 are crystallized in space group P1 with a=1.4966(3) nm, b=1.5597(4) nm, c=1.9568(4) nm, α=86.776(6)°, β=77.723(7)°, γ=87.168(7)°, Z=2 for 1, and a=1.0408(4) nm, b=1.3541(5) nm, c=2.975(1) nm, α=94.390(8)°, β=91.720(7)°, γ=95.230(4)°, Z=2 for 2, respectively. In 1, pairs of La(Ⅲ) atoms are bridged by two carboxylate groups forming a di-metal core structures which are linked by carboxylatos to a coordination string running parallel to the c axis. In addition, a notable feature in 1 is the existence of (H2O)6 clusters which consist of cyclic (H2O)4 clusters as cores. In 2, the coordination cation is of a carboxylato-bridged tetrakis-carboxylato wheel like di-metal core structure with a pair of carboxylate groups acting in a syn-syn bridging mode and the other acting in chelating/mono atom bridging mode. CCDC: 998597, 1; 998596, 2.
Keywords: bidentate betaine derivative  La(Ⅲ) coordination compound  Nd(Ⅲ) coordination compound  (H2O)6 cluster  molecular clip
投稿时间:2014-02-22 修订日期:2014-04-17
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周业芳,李松林,刘雪佳.La(Ⅲ)、Nd(Ⅲ)与甜菜碱类衍生物形成的包含(H2O)6分子簇的配合物的晶体结构[J].无机化学学报,2014,30(9):2189-2196.
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