[(cyclopentadienyl)Ru(1,2-bis(diphenylphosphino)ethane)(α-methylbenzylthiol)][tetraphenylborate] | 945627-76-9

• 英文名称: [(cyclopentadienyl)Ru(1,2-bis(diphenylphosphino)ethane)(α-methylbenzylthiol)][tetraphenylborate]
• CAS: 945627-76-9
• 化学式: C₂₄H₂₀B*C₃₉H₃₉P₂RuS
• 分子量: 1022.06
• InChiKey: VSXYTHZUKWPBAC-UYLJZTCXSA-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：

  [(cyclopentadienyl)Ru(1,2-bis(diphenylphosphino)ethane)(α-methylbenzylthiol)][tetraphenylborate] 在 NEt₃ 作用下， 以 乙腈 为溶剂， 以94%的产率得到(cyclopentadienyl)Ru(1,2-bis(diphenylphosphino)ethane)(α-methylbenzylthiolate)
  参考文献：
  名称：

  Electron Exchange Involving a Sulfur-Stabilized Ruthenium Radical Cation

  摘要：

  Half-sandwich Ru(II) amine, thiol, and thiolate complexes were prepared and characterized by X-ray crystallography. The thiol and amine complexes react slowly with acetonitrile to give free thiol or amine and the acetonitrile complex. With the thiol complex, the reaction is dissociative. The thiolate complex has been oxidized to its Ru(III) radical cation and the solution EPR spectrum of that radical cation recorded. Cobaltocene reduces the thiol complex to the thiolate complex. The H-1 and P-31 NMR signals of the thiolate complex in acetonitrile become very broad whenever the thiolate and thiol complexes are present simultaneously. The line broadening is primarily due to electron exchange between the thiolate complex and its radical cation; the latter is generated by an unfavorable redox equilibrium between the thiol and thiolate complexes. Pyramidal inversion of sulfur in the thiol complex is fast at room temperature but slow at lower temperatures; major and minor conformers of the thiol complex were observed by P-31 NMR at -98 degrees C in CD2Cl2.

  DOI：

  10.1021/ic700580u
• 作为产物：
  描述：

  chlorocyclopentadienylbis(triphenylphosphine)ruthenium(II) 、 四苯硼钠 、 1-Phenylethanethiol 以 甲醇 为溶剂， 以89%的产率得到[(cyclopentadienyl)Ru(1,2-bis(diphenylphosphino)ethane)(α-methylbenzylthiol)][tetraphenylborate]
  参考文献：
  名称：

  Electron Exchange Involving a Sulfur-Stabilized Ruthenium Radical Cation

  摘要：

  Half-sandwich Ru(II) amine, thiol, and thiolate complexes were prepared and characterized by X-ray crystallography. The thiol and amine complexes react slowly with acetonitrile to give free thiol or amine and the acetonitrile complex. With the thiol complex, the reaction is dissociative. The thiolate complex has been oxidized to its Ru(III) radical cation and the solution EPR spectrum of that radical cation recorded. Cobaltocene reduces the thiol complex to the thiolate complex. The H-1 and P-31 NMR signals of the thiolate complex in acetonitrile become very broad whenever the thiolate and thiol complexes are present simultaneously. The line broadening is primarily due to electron exchange between the thiolate complex and its radical cation; the latter is generated by an unfavorable redox equilibrium between the thiol and thiolate complexes. Pyramidal inversion of sulfur in the thiol complex is fast at room temperature but slow at lower temperatures; major and minor conformers of the thiol complex were observed by P-31 NMR at -98 degrees C in CD2Cl2.

  DOI：

  10.1021/ic700580u