dihydrogen(tris(2-(diisopropylphosphino)phenyl)silyl)iron(I) | 1338002-10-0

• 英文名称: dihydrogen(tris(2-(diisopropylphosphino)phenyl)silyl)iron(I)
• 英文别名: Fe(H2)(Si(o-C6H4P(iPr)2)3)
• CAS: 1338002-10-0
• 化学式: C₃₆H₅₆FeP₃Si
• 分子量: 665.694
• InChiKey: PRLUQRPKOCIWMN-UHFFFAOYSA-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：

  dihydrogen(tris(2-(diisopropylphosphino)phenyl)silyl)iron(I) 、 氮 以 not given 为溶剂， 生成 dinitrogen(tris(2-(diisopropylphosphino)phenyl)silyl)iron(I)
  参考文献：
  名称：

  A Nonclassical Dihydrogen Adduct of S = ¹/₂ Fe(I)

  摘要：

  We have exploited the capacity of the "(SiP3iPr)Fe(I)" scaffold to accommodate additional axial ligands and characterized the mononuclear S = 1/2 H-2 adduct complex (SiP3iPr)Fe-I(H-2). EPR and ENDOR data, in the context of X-ray structural results, revealed that this complex provides a highly unusual example of an open-shell metal complex that binds dihydrogen as a ligand. The H2 ligand at 2 K dynamically reorients within the ligand-binding pocket, tunneling among the energy minima created by strong interactions with the three Fe-P bonds.

  DOI：

  10.1021/ja207003m
• 作为产物：
  描述：

  dinitrogen(tris(2-(diisopropylphosphino)phenyl)silyl)iron(I) 、 氢气 以 苯 为溶剂， 以99%的产率得到dihydrogen(tris(2-(diisopropylphosphino)phenyl)silyl)iron(I)
  参考文献：
  名称：

  A Nonclassical Dihydrogen Adduct of S = ¹/₂ Fe(I)

  摘要：

  We have exploited the capacity of the "(SiP3iPr)Fe(I)" scaffold to accommodate additional axial ligands and characterized the mononuclear S = 1/2 H-2 adduct complex (SiP3iPr)Fe-I(H-2). EPR and ENDOR data, in the context of X-ray structural results, revealed that this complex provides a highly unusual example of an open-shell metal complex that binds dihydrogen as a ligand. The H2 ligand at 2 K dynamically reorients within the ligand-binding pocket, tunneling among the energy minima created by strong interactions with the three Fe-P bonds.

  DOI：

  10.1021/ja207003m