trans-bis{1,2-bis(dimethylphosphino)ethane}(methyl isocyanide)hydridoiron(II) tetraphenylborate | 130172-21-3

• 英文名称: trans-bis{1,2-bis(dimethylphosphino)ethane}(methyl isocyanide)hydridoiron(II) tetraphenylborate
• CAS: 130172-21-3
• 化学式: C₁₄H₃₆FeNP₄*C₂₄H₂₀B
• 分子量: 717.422
• InChiKey: BCHHURKTEIQGOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  45.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  12.36
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  甲胩 、 {FeH(H2)(dmpe)2}BPh4 (dmpe=1,2-bis(dimethylphosphino)ethane) 以 四氢呋喃 为溶剂， 以>99的产率得到trans-bis{1,2-bis(dimethylphosphino)ethane}(methyl isocyanide)hydridoiron(II) tetraphenylborate
  参考文献：
  名称：

  Bis[1,2-bis(dimethylphosphino)ethane]dihydrogenhydridoiron(II) tetraphenylborate as a model for the function of nitrogenases

  摘要：

  The trihydride complex [FeH3(dmpe)2]+ (dmpe = Me2PCH2CH2PMe2) is best represented as [FeH(H2)(dmpe2]+, with the H-H separation in the H-2 being ca. 0.81 angstrom. The H-2 can be replaced by N2, CO, MeCN, MeNC and C2H4. The dinitrogen complex [FeH(N2)(dmpe)2]+ may be deprotonated to yield the solution-stable, trigonal-bipyramidal species [Fe(N2)(dmpe)2], which can be reprotonated by HCl to yield [FeCl2(dmpe)2], N2, H-2, and NH3. The crystal structures of [FeH(H2)(dmpe)2]BPh4 and [FeH(N2)(dmpe)2]BPh4 have been determined.

  DOI：

  10.1039/dt9930003041