[ZrCl2(P3C2(tBu)2)(η5-Cp)] | 1143620-97-6

• 英文名称: [ZrCl2(P3C2(tBu)2)(η5-Cp)]
• 英文别名: [(η5-C5H5)(η5-3,5-di(t-butyl)-1,2,4-triphospholyl)ZrCl2]
• CAS: 1143620-97-6
• 化学式: C₁₅H₂₃Cl₂P₃Zr
• 分子量: 458.399
• InChiKey: BMOLBFTWXXCBJQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  (二甲氧基乙烷)环戊二烯基锆(IV)氯化物 、 potassium 3,5-di-tert-butyl-1,2,4-triphosphacyclopentadienyl 以 甲苯 为溶剂， 生成 [ZrCl2(P3C2(tBu)2)(η5-Cp)]
  参考文献：
  名称：

  New phospholyl complexes of groups 4 and 6: Syntheses, characterisation and polymerisation studies

  摘要：

  [M((P3C2Bu2)-Bu-t)(CO)(3)I] (M = Mo, 1, W, 2) have been synthesised and reacted with PCl5 for oxidation study purposes. Compounds Ti((P3C2Bu2)-Bu-t)(Ind)Cl-2], 3, and [Zr((P3C2Bu2)-Bu-t)(Cp)Cl-2], 4, were detected spectroscopically, but showed to be too unstable to be isolated. A Ti(IV) complex, [Ti((P3C2Bu2)-Bu-t)Cl-3], 5, has been formed from the reaction of [TiCl4] with the base-free ligand K((P3C2Bu2)-Bu-t), while the Ti(III) species, [Ti((P3C2Bu2)-Bu-t) Cl-2(THF)], 6, was prepared from [TiCl3(THF)(3)]. Compounds 5 and 6 were studied as ethylene catalyst precursors after activation with MAO. In the studied conditions, complex 5 is the most active one with an activity of 2.2 x 10(5) g(molTi [E] h) (1), one order of magnitude higher than compound 6. The produced polymer is linear polyethylene. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.06.019

文献信息

• Diphospholyl and triphospholyl zirconium π-complexes: Ziegler–Natta oligomerization catalysts and reactive intermediates in P–C cage formation by hydrolysis
  作者：Jürgen Panhans、Frank W. Heinemann、Ulrich Zenneck

  DOI：10.1016/j.jorganchem.2008.12.026

  日期：2009.4

  and ZrCl4 form the asymmetric tricyclic P6(t-BuC)4H2 isomer 8 with two PC double bonds as a dimer of 1,2,4-triphosphol. It is accompanied by small amounts of HCl addition product 9, where one of the PC double bonds is eliminated. Compound 8 contains six, and 9 eight stereogenic centers, but both form one pair of enantiomers each only. A single stereoisomer of P6(t-BuC)4H2 cage 10 is formed if (1-trimethylstannyl)-3

  2,4,5-三（叔丁基）-1,3-二磷酰基钠盐（2a）和3,5-二（叔丁基）-1,2,4-三磷酰基钠盐（3a）与ZrCl反应4和CPZrCl 3到形式（η 5 -2,4,5-三（吨丁基）-1,3- diphospholyl）的ZrCl 3（4）中，CP（η 5 -2,4,5-三（吨-丁基）-1,3- diphospholyl）的ZrCl 2（5），和CP（η 5 -3,5-二（吨丁基）-1,2,4- triphospholyl）的ZrCl 2（6）分别在完全没有水的情况下。出人意料的是，弯曲的三明治配合物6表现出受阻的环状配体旋转的NMR光谱特征，但是5的环戊二烯基配体尽管其2,4,5-三（叔丁基）具有更高的空间需求，但在NMR时间范围内自由旋转。）-1,3-二磷酰基配体。该矛盾是根据同位和杂环π-配体之间有吸引力的配位体P–C相互作用进行讨论的，该相互作用对6的作用更强。即使存在于反应混