[Cp2Ru2(CO)3(PMe3)(μ-H)](+)CF3SO3(-) | 208599-03-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: [Cp2Ru2(CO)3(PMe3)(μ-H)](+)CF3SO3(-)
• 英文别名: carbon monoxide;cyclopenta-1,3-diene;hydride;ruthenium(2+);trifluoromethanesulfonate;trimethylphosphane
• CAS: 208599-03-5
• 化学式: CF₃O₃S*C₁₆H₂₀O₃PRu₂
• 分子量: 642.517
• InChiKey: JMJBPHZESRDOGH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.22
• 重原子数：
  30
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  68.6
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  、 三氟甲磺酸 以 二氯甲烷-D2 为溶剂， 生成 [Cp2Ru2(CO)3(PMe3)(μ-H)](+)CF3SO3(-)
  参考文献：
  名称：

  Protonation of Metal−Metal Bonds in Cp₂Ru₂(CO)₃(PR₃) and Cp₂Mo₂(CO)₄(PR₃)₂

  摘要：

  Despite the much higher basicity expected for the Ru bearing the PR3 ligand in Cp(PR3)Ru(mu-Co)(2)Ru(Co)Cp, NMR studies demonstrate that protonation of this complex with CF3SO3H occurs at the Ru-Ru bond, rather than at the more basic Ru. As determined by calorimetric titration at 25.0 degrees C in 1,2-dichloroethane solvent, the enthalpy of protonation (Delta H-MHM) Of the Ru-Ru bond is higher in CP2RU2(CO)(3)(PMe3) (-30.0(4) kcal/mol) than in its carbonyl analogue Cp2Ru2(CO)(4) (-18.4(1) kcal/mol). Enthalpies (Delta H-MHM) for protonation of the Mo-Mo bond in the dinuclear Mo complexes CP2Mo2(CO)(4)(PR3)(2) show that the PMe3 complex (-27.4(2) kcal/mol) is dramatically more basic than its PMe2Ph analogue (-18.9(5) kcal/mol); Considering the Delta H-MHM values as measures of the basicities of the complexes, these results show that the basicities of metal-metal bonds are highly sensitive to the nature of their associated ligands. In addition, evidence indicates that Ru-Ru bonds are more basic than Ru in comparable mononuclear complexes. The structures, as determined by X-ray crystallographic studies, of Cp2Ru2(CO)(3)(PMe3) and its protonated derivative Cp2Ru2(CO)(3)(PMe3)(mu-H)+CF3SO3- are also discussed.

  DOI：

  10.1021/ic971516v