| 105710-88-1

• CAS: 105710-88-1
• 化学式: CF₃O₃S*C₄₂H₃₇P₂Ru
• 分子量: 853.844
• InChiKey: NTPBRBOGMPQKMK-UHFFFAOYSA-M

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

• 作为产物：
  描述：

  、 苯 在 H₂ 作用下， 以 苯 为溶剂， 以91%的产率得到
  参考文献：
  名称：

  Reactions of MH(OTf)(NBD)(PPh₃)₂ (M = Ru, Os) with H₂

  摘要：

  Treatment of RuHCl(NBD)(PPh3)(2) (NBD = norbornadiene) with AgOTf produced RuH(OTf)(NBD)(PPh3)(2). Reaction of RuH(OTf)(NBD)(PPh3)(2) with H-2 in benzene gave norbornene and [(eta (6)-C6H6)RuH(PPh3)(2)]OTf. The same reaction in CD2Cl2 in the presence of added PPh3 produced norbornane and [RuH(PPh3)(4)]OTf. Reaction of OsH3Cl(PPh3)(3) with norbornadiene produced OsHCl(NBD)(PPh3)(2), which was converted to OsH(OTf)(NBD)(PPh3)(2) on treatment with AgOTf. Reaction of OsH(OTf)(NBD)(PPh3)(2) with H-2 in benzene gave norbornane and [(eta (6)-C6H6)OsH(PPh3)(2)]OTf. In dichloromethane, OsH(OTf)(NBD)(PPh3)(2) reacted with H-2 in the presence of added PPh3 to produce norbornane and [OsH3(PPh3)(4)]OTf. Supported by computational studies, it is assumed that; the dihydrogen complexes [MH(H-2)(NBD)(PPh3)(2)](+) (M = Ru, Os) were involved in the hydrogenation reactions. Two reaction pathways for the conversion of [RuH(H-2)(NBD)(PH3)(2)](+) to [RuH(NBE)(PH3)(2)](+) (NBE = norbornene) have been studied by density functional theory calculations. The results show that the first hydrogen transferred to the olefin ligand is more likely from the hydride ligand rather than from the dihydrogen ligand.

  DOI：

  10.1021/om000369x

文献信息

• Harding, P. Alexander; Preece, Michael; Robinson, Stephen D., Inorganica Chimica Acta, 1986, vol. 118, p. L31 - L34
  作者：Harding, P. Alexander、Preece, Michael、Robinson, Stephen D.、Henrick, Kim

  DOI：——

  日期：——