[Fe2(CO)4(κ2-(Ph2PCH2)2N(H)Me)(μ-propanedithiolato)][BF4] | 1093856-27-9

• 英文名称: [Fe2(CO)4(κ2-(Ph2PCH2)2N(H)Me)(μ-propanedithiolato)][BF4]
• 英文别名: [Fe2(CO)4(κ2-(Ph2PCH2)2N(H)Me)(μ-pdt)][BF4]
• CAS: 1093856-27-9
• 化学式: BF₄*C₃₄H₃₄Fe₂NO₄P₂S₂
• 分子量: 845.226
• InChiKey: CAXIGIGEOBZVGC-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

• 作为反应物：
  描述：

  [Fe2(CO)4(κ2-(Ph2PCH2)2N(H)Me)(μ-propanedithiolato)][BF4] 以 further solvent(s) 为溶剂， 生成 [Fe2(CO)4(κ2-(Ph2PCH2)2NMe)(μ-propanedithiolato)(μ-H)][BF4]
  参考文献：
  名称：

  Influence of a Pendant Amine in the Second Coordination Sphere on Proton Transfer at a Dissymmetrically Disubstituted Diiron System Related to the [2Fe]_H Subsite of [FeFe]H₂ase

  摘要：

  Studies of the protonation of [Fe-2(CO)(4)(kappa(2)-PNP)(mu-pdt)] (1; PNP = (Ph2PCH2)(2)NCH3) by HBF4 center dot Et2O showed that the nature of the reaction product depends on whether the reaction is conducted in acetone or in dichloromethane. In acetone, an N-protonated form, 2, is isolated. Tautomerization of 2 in CH2Cl2 gives rise to a mu-hydride species 3. Variable-temperature NMR experiments have been performed to clarify the processes involved.

  DOI：

  10.1021/ic801369u
• 作为产物：
  描述：

  四氟硼酸-二乙醚络合物 、 [Fe2(CO)4(κ2-(Ph2PCH2)2NMe)(μ-propanedithiolato)] 以 further solvent(s) 为溶剂， 生成 [Fe2(CO)4(κ2-(Ph2PCH2)2N(H)Me)(μ-propanedithiolato)][BF4]
  参考文献：
  名称：

  Influence of a Pendant Amine in the Second Coordination Sphere on Proton Transfer at a Dissymmetrically Disubstituted Diiron System Related to the [2Fe]_H Subsite of [FeFe]H₂ase

  摘要：

  Studies of the protonation of [Fe-2(CO)(4)(kappa(2)-PNP)(mu-pdt)] (1; PNP = (Ph2PCH2)(2)NCH3) by HBF4 center dot Et2O showed that the nature of the reaction product depends on whether the reaction is conducted in acetone or in dichloromethane. In acetone, an N-protonated form, 2, is isolated. Tautomerization of 2 in CH2Cl2 gives rise to a mu-hydride species 3. Variable-temperature NMR experiments have been performed to clarify the processes involved.

  DOI：

  10.1021/ic801369u