(μ-bdt)Fe2(CO)5C60PPh2(1-) | 1379801-46-3

• 英文名称: (μ-bdt)Fe2(CO)5C60PPh2(1-)
• 英文别名: (μ-1,2-benzenedithiolate)Fe2(CO)5C60PPh2(1-)
• CAS: 1379801-46-3
• 化学式: C₈₃H₁₄Fe₂O₅PS₂
• 分子量: 1297.82
• InChiKey: PQICQKITJBFZKF-UHFFFAOYSA-L

反应信息

• 作为产物：
  描述：

  (μ-bdt)Fe2(CO)5C60HPPh2 在 KOC(CH₃)3 作用下， 以 四氢呋喃 为溶剂， 生成 (μ-bdt)Fe2(CO)5C60PPh2(1-)
  参考文献：
  名称：

  Electron Delocalization from the Fullerene Attachment to the Diiron Core within the Active-Site Mimics of [FeFe]Hydrogenase

  摘要：

  Attachment of the redox-active C-60(H)PPh2 group modulates the electronic structure of the Fe-2 core in [(mu-bdt)Fe-2(CO)(5)(C-60(H)PPh2)]. The neutral complex is characterized by X-ray crystallography, IR, NMR spectroscopy, and cyclic voltammetry. When it is reduced by one electron, the spectroscopic and density functional theory results indicate that the Fe-2 core is partially spin-populated. In the doubly reduced species, extensive electron communication occurs between the reduced fullerene unit and the Fe-2 centers as displayed in the spin-density plot. The results suggest that the [4Fe4S] cluster within the H cluster provides an essential role in terms of the electronic factor.

  DOI：

  10.1021/ic3007298