Fe2(biphenyl-2,2'-dithiolate)(CO)6 | 1197364-36-5

• 英文名称: Fe2(biphenyl-2,2'-dithiolate)(CO)6
• CAS: 1197364-36-5
• 化学式: C₁₈H₈Fe₂O₆S₂
• 分子量: 496.084
• InChiKey: UUBMKTCXWIUANJ-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  十二羰基三铁 、 2,2'-dimercaptobiphenyl 以 四氢呋喃 为溶剂， 以41%的产率得到Fe2(biphenyl-2,2'-dithiolate)(CO)6
  参考文献：
  名称：

  (I,0) Mixed-Valence State of a Diiron Complex with Pertinence to the [FeFe]-Hydrogenase Active Site: An IR, EPR, and Computational Study

  摘要：

  Biphenyl-2,2'-dithiolate (bpdt) bridged Fe-2(bpdt)(CO)(6) (1) undergoes two sequential electrochemically quasi-reversible reductions. The one-electron reduction product 1(-) is unusually stable against irreversible structural changes and could be characterized by IR and EPR spectroscopy supported by computational methods. Reduction to the (I,0) state does not trigger bridging coordination of CO but partial deligation of the dithiolate in 1(-) that ultimately forms a diamagnetic dimerization product.

  DOI：

  10.1021/ic9016454