[RhH(NHC(Ph)(o-C6H4))(η1-benzophenone imine)(PPh3)2]PF6 | 861902-18-3

• 英文名称: [RhH(NHC(Ph)(o-C6H4))(η1-benzophenone imine)(PPh3)2]PF6
• CAS: 861902-18-3
• 化学式: C₆₂H₅₂N₂P₂Rh*F₆P
• 分子量: 1134.93
• InChiKey: YVGRPDWHSLQIRR-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：

  [RhH(NHC(Ph)(o-C6H4))(η1-benzophenone imine)(PPh3)2]PF6 以 甲醇 为溶剂， 生成 cis-[Rh(PPh3)2(η1-benzophenone imine)2]PF6*(0.15-0.20)CH2Cl2
  参考文献：
  名称：

  Characterization of a Rhodium(III)−Imine−Orthometalated Imine Complex:  Reversible C−H Activation of a Coordinated Imine

  摘要：

  Solutions of cis-[Rh(PPh3)(2)(solv)(2)]PF6 (solv = acetone or MeOH) react at room temperature under Ar with benzophenone imine to yield cis- [Rh(PPh3)(2)(eta(1)-NH=CPh2)(2)]PF6 (3), but depending on reaction conditions, one of the imine ligands undergoes orthometalation to give [RhH{NH=C(Ph)(o-C6H4)}(HN=CPh2)(PPh3)(2)]PF6 (2) with trans-phosphines; this is the first recorded complex containing an imine in its eta(1)-form and as an eta(2)-moiety formed via orthometalation. Complexes 2 and 3 are characterized by elemental analysis, H-1 and P-31-{H-1} NMR spectroscopy, and, in the case of 2, an X-ray crystal structure.

  DOI：

  10.1021/om050240t
• 作为产物：
  描述：

  氢气 、 二苯甲酮亚胺 、 (1,5-环辛二烯)二(三苯基膦)六氟磷酸铑二氯甲烷络合物(1:1) 以 甲醇 为溶剂， 生成 cis-[Rh(PPh3)2(η1-benzophenone imine)2]PF6*(0.15-0.20)CH2Cl2 、 [RhH(NHC(Ph)(o-C6H4))(η1-benzophenone imine)(PPh3)2]PF6
  参考文献：
  名称：

  Characterization of a Rhodium(III)−Imine−Orthometalated Imine Complex:  Reversible C−H Activation of a Coordinated Imine

  摘要：

  Solutions of cis-[Rh(PPh3)(2)(solv)(2)]PF6 (solv = acetone or MeOH) react at room temperature under Ar with benzophenone imine to yield cis- [Rh(PPh3)(2)(eta(1)-NH=CPh2)(2)]PF6 (3), but depending on reaction conditions, one of the imine ligands undergoes orthometalation to give [RhH{NH=C(Ph)(o-C6H4)}(HN=CPh2)(PPh3)(2)]PF6 (2) with trans-phosphines; this is the first recorded complex containing an imine in its eta(1)-form and as an eta(2)-moiety formed via orthometalation. Complexes 2 and 3 are characterized by elemental analysis, H-1 and P-31-{H-1} NMR spectroscopy, and, in the case of 2, an X-ray crystal structure.

  DOI：

  10.1021/om050240t