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化学学报
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化学学报 ›› 1987, Vol. 45 ›› Issue (10): 949-954. 上一篇    下一篇

研究论文

[Al~3Nd~6(μ~2-Cl)~6(μ~3-Cl)~6(μ~2-Et)~9Et~5OCH(CH~3)~2]~2的单晶结构

单成基;林永华;金松春;欧阳均;樊玉国;杨光第;于景生   

  1. 中国科学院长春应用化学研究所;吉林大学理论化学研究所
  • 发布日期:1987-10-15

Single crystal structure of [Al~3Nd~6(\m\2-Cl)6(\m\3-Cl)6

SHAN CHENGJI;LIN YONGHUA;JIN SONGCHUN;OU YANGJUN;FAN YUGUO;YANG GUANGDI;YU JINGSHENG   

  • Published:1987-10-15

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从均相Ziegler-Natta催化剂分离出有催化聚合活性的[Al~3Nd~6(μ-Cl~6(μ~2-Cl)~6(μ~2-Et)~9Et~4OPr)~2单晶,并用X光衍射法测得其晶体结构.结果表明,该单晶是由多核Nd-Al双金属配合物的二聚体组成,属三斜晶系;晶体的空间群为PI.晶胞参数α=1.5196(6),b=15.263(5),c=13.749(4)A;α=90.01(2),β=95.12(3),γ =82.65(3);V=3149.5A^3;Z=1.Nd原子的配位数是7,构型为单帽三棱柱.Nd原子由三重和二重氯桥连成分子骨架.本文对双金属配合物的催化活性中心也进行了讨论.

关键词: 晶体结构测定, Ｘ射线衍射分析, 均相催化, 单晶, 钕化合物, 铝化合物, 多核络合物, 双金属催化剂, 齐格勒纳塔催化剂

From a homogeneous Ziegler-Natta catalyst, a polymerisation active single crystal of the title compound was isolated. The crystal is triclinic, space group, P1, with a 15.196(6), b 15.263(5), c 13.749(4) ? a 90.01(2), b 95.12(3), and g 82.65(3)? Z = 1. The final R = 0.087. Atomic coordinates are given. The coordination no. of Nd is 7, and the configuration of Nd is monocapped prism. The Nd atoms can be divided into 3 groups according to their coordination environment. All the Nd atoms are connected by m2-Cl and m3-Cl atoms into a mol. skeleton. The active center of the bimetallic complex responsible for diene polymerisation is also discussed.

Key words: CRYSTAL STRUCTURE DETERMINATION, X-RAY DIFFRACTION ANALYSIS, HOMOGENEOUS CATALYSIS, SINGLE CRYSTALS, NEODYMIUM COMPOUNDS, ALUMINIUM COMPOUNDS, POLYNUCLEAR COMPLEX, DUAL METAL REFORMING CATALYST, ZIEGLER-NATTA CATALYST

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