rac-(CH2=CH)2Si(η(5)-C5H2-2,4-Me2)2ZrCl2 | 200508-75-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: rac-(CH2=CH)2Si(η(5)-C5H2-2,4-Me2)2ZrCl2
• 英文别名: bis(2,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(ethenyl)silane;dichlorozirconium(2+)
• CAS: 200508-75-4
• 化学式: C₁₈H₂₂Cl₂SiZr
• 分子量: 428.588
• InChiKey: ZRJKWSFERVJJTA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.75
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (η5-pentamethylcyclopentadienyl)Rh(ethylene)2 、 rac-(CH2=CH)2Si(η(5)-C5H2-2,4-Me2)2ZrCl2 以 乙二醇二甲醚 为溶剂， 以49%的产率得到rac-(.eta(5)-C5Me5)Rh(.eta(2)-CH2=CH)2Si(η(5)-C5H2-2,4-Me2)2ZrCl2
  参考文献：
  名称：

  Synthesis of ansa-Zirconocene/Rhodium Heterobimetallic Complexes:  Enhanced Catalytic Activity in Stereospecific Polymerization of α-Olefins

  摘要：

  Novel heterobimetallic complexes that consist of zirconium and rhodium, LRh(eta(2)-CH2=CH)(2)Si(eta(5)-C5H2-2,4-Me-2)(2)ZrCl2 (3a L = eta(5)-C9H7, 3b eta(5)-C5H5, 3c eta(5)-C5Me5), were synthesized, and 3b was structurally characterized. The complexes have a "C-2-symmetric" ansa-zirconocene part and the rhodium metal on the bridge part. The complexes 3a-c in combination with methylaluminoxane catalyzed highly isospecific polymerization of a-olefins. Their catalytic activities were higher than that of the parent zirconocene complex, and the obtained polymer had a larger molecular weight.

  DOI：

  10.1021/om980989m
• 作为产物：
  描述：

  rac-(.eta(5)-C5Me5)Rh(.eta(2)-CH2=CH)2Si(η(5)-C5H2-2,4-Me2)2ZrCl2 在 1-hexene 作用下， 以 氘代甲苯 为溶剂， 以0%的产率得到rac-(CH2=CH)2Si(η(5)-C5H2-2,4-Me2)2ZrCl2
  参考文献：
  名称：

  Synthesis of ansa-Zirconocene/Rhodium Heterobimetallic Complexes:  Enhanced Catalytic Activity in Stereospecific Polymerization of α-Olefins

  摘要：

  Novel heterobimetallic complexes that consist of zirconium and rhodium, LRh(eta(2)-CH2=CH)(2)Si(eta(5)-C5H2-2,4-Me-2)(2)ZrCl2 (3a L = eta(5)-C9H7, 3b eta(5)-C5H5, 3c eta(5)-C5Me5), were synthesized, and 3b was structurally characterized. The complexes have a "C-2-symmetric" ansa-zirconocene part and the rhodium metal on the bridge part. The complexes 3a-c in combination with methylaluminoxane catalyzed highly isospecific polymerization of a-olefins. Their catalytic activities were higher than that of the parent zirconocene complex, and the obtained polymer had a larger molecular weight.

  DOI：

  10.1021/om980989m

文献信息

• Electronic effects in homogeneous Ziegler–Natta catalysts: Zr–Rh early–late heterobimetallic complexes †
  作者：Chikako Takayama、Yoshitaka Yamaguchi、Takaya Mise、Noriyuki Suzuki

  DOI：10.1039/b008491n

  日期：——

  (η5-C9H7)Rh(η2-CH2CH)2Si(η5-C5Me4)2}ZrCl22 (C9H7 = indenyl), were synthesized and 2 was structurally characterized. These complexes and the racemic isomer of 1 (1r) were investigated in terms of effects of the rhodium units on the electron density of the zirconium. The redox behavior examined by cyclic voltammetry and NMR study of the dimethylated complexes indicated the electron-rich character of

  锆电子密度与催化活性的相关性。 烯烃 聚合在排除任何空间因素的情况下进行了调查。两种新型Zr的铑双核配合物，内消旋- （η 5 -C 9 ħ 7）的Rh （η 2 -CH 2 CH）2的Si（η 5 -C 5 H ^ 2我2）2 }的ZrCl 2 1米和（η 5 -C 9 ħ 7）的Rh （η 2 -CH 2 CH）2的Si（η 5 -C 5我4）2 }的ZrCl 2 2 合成（C 9 H 7＝茚基），并在结构上表征2。根据铑单元对锆电子密度的影响，研究了这些络合物和1（1r）的外消旋异构体。氧化还原行为循环伏安法 和 核磁共振对二甲基化配合物的研究表明，双金属配合物1r，1m和2中锆的富电子特性。的催化活性1R和1米为己烯 聚合据发现，其明显高于相应的单金属配合物，并且它们形成了更高分子量的聚己烯，而2与单金属配合物相比，其催化性能没有显着差异。结果表明，给电子铑单元产生了更高的催化活性。烯烃