(PMe3)4Ru(H)(SeC6H5) | 211427-92-8

• 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: (PMe3)4Ru(H)(SeC6H5)
• CAS: 211427-92-8
• 化学式: C₁₈H₄₂P₄RuSe
• 分子量: 562.457
• InChiKey: FSIWAXLWHZSIFZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.64
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  RuH(PMe3)3(η2-C2H4) 、 苯硒酚 以 正戊烷 为溶剂， 以56%的产率得到(PMe3)4Ru(H)(SeC6H5)
  参考文献：
  名称：

  Solution Calorimetric Investigation of Oxidative Addition of HEAr (E = O, S, Se; Ar = C₆H₄X, X = CH₃, H, Cl, NO₂) to (PMe₃)₄Ru(C₂H₄):  Relationship between HEAr Acidity and Enthalpy of Reaction

  摘要：

  The enthalpies of reactions of (PMe3)(4)Ru(C2H4) (1) with a series of HEAr compounds (E = O, S, Se; Ar = aryl), leading to the formation of (PMe3)(4)Ru(H)(EAr) complexes, have been measured by anaerobic solution calorimetry in C6H6 at 30.0 degrees C. These reactions are rapid and quantitative under the calorimetry conditions. The measured reaction enthalpies span a range of some 35 kcal/mol. The relative stability scale established is as follows: (PMe3)(4)Ru(H)(OC6H4-p-CH3) < (PMe3)(4)Ru(H)(OC6H5) < (PMe3)(4)Ru(H)(OC6H4-p-Cl) < (PMe3)(4)Ru(H)(OC6H4-p-NO2) < (PMe3)(4)Ru(H)(SC6H4-p-CH3) < (PMe3)(4)Ru(H)(SC6H5) < (PMe3)(4)Ru(H)(SC6H4-p-Cl) approximate to (PMe3)(4)Ru(H)(SeC6H5) < (PMe3)(4)Ru(H)(SC6H4-p-NO2). A single-crystal X-ray structure of one of these complexes, (PMe3)(4)Ru(SC6H5)H (7), is reported. The measured enthalpies of reaction display a dependence on the acidity of HEAr.

  DOI：

  10.1021/om980253p