| 386213-29-2

• CAS: 386213-29-2
• 化学式: C₂₂H₃₆ClNiP
• 分子量: 425.645
• InChiKey: IMAQLUIWKZXWDF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  三丁基膦 、 [(η5-1-methylindenyl)Ni(Cl)(PMe3)] 以 乙醚 为溶剂， 生成
  参考文献：
  名称：

  Solid State Structures and Phosphine Exchange Reactions of (1-Me-Indenyl)(PR₃)Ni−Cl

  摘要：

  The complexes (1-Me-Ind)(PR3)Ni-Cl (Ind = indenyl; R = Me (2), Cy (3), Bu (4), and (CH2)(2)(CF2)(5)CF3 (5)) have been prepared by the direct reaction of the corresponding (PR3)(2)NiCl2 with Li(1-Me-Ind) or via phosphine exchange reactions with (1-Me-Ind)(PR ' (3))Ni-CI (R ' = Ph (1) and Me). Solution NMR and single-crystal X-ray diffraction studies of the structures of 2 and 3 have allowed an analysis of the mode of coordination of the 1-Me-Ind ligand both in the solid state and in solution. Kinetic studies have shown that the substitution of PPh3 in (1-Me-Ind)(PPh3)Ni-Cl by PCy3 follows a second-order rate (associative mechanism) with the following kinetic parameters. K-2 (x 10(-2) M-1 s(-1)) = 1.1 +/- 0.1 at 233 K, 1.9 +/- 0.4 at 245 K, 15 +/- 2 at 284 EC, 21 +/- 2 at 293 K, and 34 +/- 7 at 303 K, DeltaH double dagger = 6.40 +/- 0.07 kcal/mol; DeltaS double dagger = -40 +/- 4 eu. The implications of these results for the mechanisms of the polymerization reactions catalyzed by these complexes have been discussed.

  DOI：

  10.1021/om010608w