| 860014-47-7

• CAS: 860014-47-7
• 化学式: C₅BrFeN₂O₃*C₂₄H₂₀P
• 分子量: 611.214
• InChiKey: HFFCQEXPGPSIBC-UHFFFAOYSA-M

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：

  、 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

文献信息

• Dithiolato-Bridged Dinuclear Iron−Nickel Complexes [Fe(CO)₂(CN)₂(μ-SCH₂CH₂CH₂S)Ni(S₂CNR₂)]^- Modeling the Active Site of [NiFe] Hydrogenase
  作者：Zilong Li、Yasuhiro Ohki、Kazuyuki Tatsumi

  DOI：10.1021/ja051590+

  日期：2005.6.1

  [NiFe] hydrogenase, the enzyme of which catalyzes the reversible oxidation of molecular hydrogen to protons and electrons, contains a unique heterodinuclear thiolate-bridged Ni-Fe complex in which the iron center is coordinated by CO and CN. We have synthesized dithiolate-bridged Ni-Fe complexes bearing CO and CN ligands to model the active center of [NiFe] hydrogenase. The Ni-Fe complexes containing

  [NiFe] 氢化酶，其酶催化分子氢可逆氧化为质子和电子，包含独特的异双核硫醇桥 Ni-Fe 复合物，其中铁中心由 CO 和 CN 配位。我们已经合成了带有 CO 和 CN 配体的二硫醇桥连 Ni-Fe 配合物，以模拟 [NiFe] 氢化酶的活性中心。包含 [(CN)2(CO)2Fe(mu-S2)NiS2] 骨架的 Ni-Fe 配合物是 [NiFe] 氢化酶最接近但结构模型。