trans-{Ru(H)(depe)2(η2-H2)}(1+) | 108150-68-1

• 英文名称: trans-{Ru(H)(depe)2(η2-H2)}(1+)
• 英文别名: trans{Ru(η2-H2)(H)(depe)2}(1+)；trans-[Ru(1,2-bis(diethylphosphino)ethane)2C(H2)H](1+)
• CAS: 108150-68-1
• 化学式: C₂₀H₅₁P₄Ru
• 分子量: 516.59
• InChiKey: KWJIYSZSYPLAIR-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：

  trans-{Ru(H)(depe)2(η2-H2)}(1+) 、 水 以 四氢呋喃 为溶剂， 以0%的产率得到trans-[Ru(1,2-bis(diethylphosphino)ethane)2H(H2O)](1+)
  参考文献：
  名称：

  Aqueous Coordination Chemistry of H₂: Why is Coordinated H₂ Inert to Substitution by Water in trans-Ru(P₂)₂(H₂)H⁺-type Complexes (P₂ = a Chelating Phosphine)?

  摘要：

  The reactivity of a series of trans-Ru(P-2)(2)Cl-2 complexes with H-2 was explored. The complexes reacted with H-2 via a stepwise H-2 addition/heterolysis pathway to form the trans-[Ru(P-2)(2)(H-2)H](+) dihydrogen complexes. Some of the resulting eta(2)-H-2 complexes were surprisingly inert to substitution by water, even at concentrations as high as 55 M; however, the identity of the bidentate phosphine ligand greatly influenced the lability of the coordinated eta(2)-H-2 ligand. With less electron-donating phosphine ligands, the H-2 ligand was susceptible to substitution by H2O, whereas with more electron-rich phosphine ligands, the H-2 ligand was inert to substitution by water. Density functional theory (DFT) calculations of the ligand substitution reactions showed that the Ru-H-2 and Ru-H2O complexes are very close in energy, and therefore slight changes in the donor properties of the bidentate phosphine ligand can inhibit or promote the substitution of H2O for H-2.

  DOI：

  10.1021/ic801884x
• 作为产物：
  描述：

  cis-RuCl2(Et2PC2H4PEt2)2 、 氢气 在 Proton Sponge 、 TlPF₆ 作用下， 以 甲苯 为溶剂， 生成 trans-{Ru(H)(depe)2(η2-H2)}(1+)
  参考文献：
  名称：

  Aqueous Coordination Chemistry of H₂: Why is Coordinated H₂ Inert to Substitution by Water in trans-Ru(P₂)₂(H₂)H⁺-type Complexes (P₂ = a Chelating Phosphine)?

  摘要：

  The reactivity of a series of trans-Ru(P-2)(2)Cl-2 complexes with H-2 was explored. The complexes reacted with H-2 via a stepwise H-2 addition/heterolysis pathway to form the trans-[Ru(P-2)(2)(H-2)H](+) dihydrogen complexes. Some of the resulting eta(2)-H-2 complexes were surprisingly inert to substitution by water, even at concentrations as high as 55 M; however, the identity of the bidentate phosphine ligand greatly influenced the lability of the coordinated eta(2)-H-2 ligand. With less electron-donating phosphine ligands, the H-2 ligand was susceptible to substitution by H2O, whereas with more electron-rich phosphine ligands, the H-2 ligand was inert to substitution by water. Density functional theory (DFT) calculations of the ligand substitution reactions showed that the Ru-H-2 and Ru-H2O complexes are very close in energy, and therefore slight changes in the donor properties of the bidentate phosphine ligand can inhibit or promote the substitution of H2O for H-2.

  DOI：

  10.1021/ic801884x