trans-[(benzyldiimine-N,N')-carbonyl-bis(triphenylphosphine)iridium(I)]-chloride | 1221278-14-3

• 英文名称: trans-[(benzyldiimine-N,N')-carbonyl-bis(triphenylphosphine)iridium(I)]-chloride
• 英文别名: trans-[IrRh(PPh3)2(CO)(H2BDI)]Cl
• CAS: 1221278-14-3
• 化学式: C₅₁H₄₂IrN₂OP₂*Cl
• 分子量: 988.528
• InChiKey: XZMOKTHCWGBKQS-UHFFFAOYSA-M

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：

  bis(triphenylphosphine)iridium(I) carbonyl chloride 、 benzil-bis(trimethylsilyl)diimine 以 苯 为溶剂， 以30.4%的产率得到trans-[(benzyldiimine-N,N')-carbonyl-bis(triphenylphosphine)iridium(I)]-chloride
  参考文献：
  名称：

  Synthesis, structures, and characterization of benzildiimine complexes of rhodium(III) and iridium(I)

  摘要：

  The reactions of trans-[(PPh3)(2)M(CO)Cl] (M = Rh and Ir) with benzildiimine (H2BDI = 2) derived from benzil- bis(trimethylsilyl) diimine (Si2BDI) (1) in a 1:2 and 1:1 molar ratio afforded the cationic bis-benzildiiminato complexes [Rh(PPh3)(2)(HBDI)(2)]Cl (3) and the mono-benzildiimine complex [Ir(PPh3)(2)(CO)-(H2BDI)]Cl (4), respectively. Both complexes are fully characterized using IR, FAB-MS, NMR spectroscopy and elemental analysis. The single crystal X-ray structure analysis reveals a distorted octahedral coordination geometry for the Rh(III) in 3 and a highly distorted square pyramidal geometry for Ir(I) in 4. In addition, the solid-state structure of Si2BDI is reported here for the first time showing the substituents highly twisted because of steric reasons. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.11.027