(PNP)Ir(C6H5)H | 872682-20-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (PNP)Ir(C6H5)H
• CAS: 872682-20-7
• 化学式: C₃₂H₄₆IrNP₂
• 分子量: 698.891
• InChiKey: QPYZQQWYEVQGCQ-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  (PNP)Ir(C6H5)H 、 N,N-diethyl(methylene)ammonium chloride 以 not given 为溶剂， 生成 (PNP)Ir(C6H5)Cl
  参考文献：
  名称：

  Halobenzenes and Ir(I):  Kinetic C−H Oxidative Addition and Thermodynamic C−Hal Oxidative Addition

  摘要：

  A (PNP)Ir fragment undergoes facile, room-temperature oxidative addition of C-H bonds in arenes and haloarenes in preference to aromatic carbon-halogen bonds. This preference, however, is determined to be kinetic in nature. Oxidative addition of C-Cl and C-Br is preferred thermodynamically. The products of the C-Cl or C-Br oxidative addition are separated from the C-H oxidative addition products by a high activation barrier and are only accessible at >100 degrees C. Of the C-H oxidative addition products of chlorobenzene, the isomer with the o-ClC6H4 ligand has the lowest energy.

  DOI：

  10.1021/ja0557637
• 作为产物：
  描述：

  (PNP)IrHCl 以 苯 为溶剂， 生成 (PNP)Ir(C6H5)H
  参考文献：
  名称：

  C−H Oxidative Addition to a (PNP)Ir Center and Ligand-Induced Reversal of Benzyl/Aryl Selectivity

  摘要：

  The (PNP)Ir fragment displays a thermodynamic preference for the oxidative addition of aromatic vs benzylic C-H bonds. However, in the case of the mesitylene activation products, the benzylic isomer is kinetically accessible and can be trapped by an external donor ligand. The preference for the benzylic isomer in the six-coordinate Ir(III) adduct of mesitylene activation is ascribed to steric factors.

  DOI：

  10.1021/om701110y

文献信息

• Reduction of CO₂to free CO by a Pd(<scp>i</scp>)–Pd(<scp>i</scp>) dimer
  作者：Chandra Mouli Palit、Daniel J. Graham、Chun-Hsing Chen、Bruce M. Foxman、Oleg V. Ozerov

  DOI：10.1039/c4cc02438a

  日期：——

  Reaction of CO2 with a Pd(I)–Pd(I) dimer supported by amido/bis(phosphine) pincer PNP ligands produces free CO in the presence of Me3SiCl and Me3SiOTf.

  在 Me3SiCl 和 Me3SiOTf 的存在下，二氧化碳与由氨基/双（膦）钳 PNP 配体支持的 Pd(I)-Pd(I) 二聚体反应，产生游离的一氧化碳。