| 1123885-79-9

• CAS: 1123885-79-9
• 化学式: C₇H₈FeN₂OS₃*C₂₄H₂₀P*K
• 分子量: 666.693
• InChiKey: NNDBSLYOUXQJNA-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

• 作为反应物：
  描述：

  甲醇 、 (PPh3)NiBr(S2CNEt2) 、 、 乙腈 以 甲醇 、 丙酮 为溶剂， 以51%的产率得到PPh4Fe(CN)2(CO)(μ-tpdt)Ni(S2CNEt)2
  参考文献：
  名称：

  A Dithiolate-Bridged (CN)₂(CO)Fe−Ni Complex Reproducing the IR Bands of [NiFe] Hydrogenase

  摘要：

  A dithiolate-bridged dinuclear Fe-Ni complex, which has the desired fac-(CN)(2)(CO) ligand set at iron, has been synthesized. Its CN/CO bands in the IR spectrum reproduce those of the Ni-A, Ni-B, and Ni-SU states, which indicate that these octahedral Fell centers have similar electronic properties. This result verifies the assignment of a (CN)(2)(CO)Fe-II moiety in the active site of [NiFe] hydrogenase.

  DOI：

  10.1021/ic900017s
• 作为产物：
  描述：

  、 potassium 3-thiapentanedithiolate 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  A Dithiolate-Bridged (CN)₂(CO)Fe−Ni Complex Reproducing the IR Bands of [NiFe] Hydrogenase

  摘要：

  A dithiolate-bridged dinuclear Fe-Ni complex, which has the desired fac-(CN)(2)(CO) ligand set at iron, has been synthesized. Its CN/CO bands in the IR spectrum reproduce those of the Ni-A, Ni-B, and Ni-SU states, which indicate that these octahedral Fell centers have similar electronic properties. This result verifies the assignment of a (CN)(2)(CO)Fe-II moiety in the active site of [NiFe] hydrogenase.

  DOI：

  10.1021/ic900017s