[Fe2(CO)4(κ2-(Ph2PCH2)2NMe)(μ-propanedithiolato)] | 1093856-26-8

• 英文名称: [Fe2(CO)4(κ2-(Ph2PCH2)2NMe)(μ-propanedithiolato)]
• 英文别名: [Fe2(CO)4(κ2-(Ph2PCH2)2NMe)(μ-pdt)]
• CAS: 1093856-26-8
• 化学式: C₃₄H₃₃Fe₂NO₄P₂S₂
• 分子量: 757.414
• InChiKey: DFBCCOWDGZLGDY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  四氟硼酸-二乙醚络合物 、 [Fe2(CO)4(κ2-(Ph2PCH2)2NMe)(μ-propanedithiolato)] 以 further solvent(s) 为溶剂， 生成 [Fe2(CO)4(κ2-(Ph2PCH2)2N(H)Me)(μ-propanedithiolato)][BF4]
  参考文献：
  名称：

  Influence of a Pendant Amine in the Second Coordination Sphere on Proton Transfer at a Dissymmetrically Disubstituted Diiron System Related to the [2Fe]_H Subsite of [FeFe]H₂ase

  摘要：

  Studies of the protonation of [Fe-2(CO)(4)(kappa(2)-PNP)(mu-pdt)] (1; PNP = (Ph2PCH2)(2)NCH3) by HBF4 center dot Et2O showed that the nature of the reaction product depends on whether the reaction is conducted in acetone or in dichloromethane. In acetone, an N-protonated form, 2, is isolated. Tautomerization of 2 in CH2Cl2 gives rise to a mu-hydride species 3. Variable-temperature NMR experiments have been performed to clarify the processes involved.

  DOI：

  10.1021/ic801369u
• 作为产物：
  描述：

  [Fe2(CO)6(μ-propanedithiolato)] 、 bis((diphenylphosphino)methyl)methylamine 以 not given 为溶剂， 以55%的产率得到[Fe2(CO)4(κ2-(Ph2PCH2)2NMe)(μ-propanedithiolato)]
  参考文献：
  名称：

  Influence of a Pendant Amine in the Second Coordination Sphere on Proton Transfer at a Dissymmetrically Disubstituted Diiron System Related to the [2Fe]_H Subsite of [FeFe]H₂ase

  摘要：

  Studies of the protonation of [Fe-2(CO)(4)(kappa(2)-PNP)(mu-pdt)] (1; PNP = (Ph2PCH2)(2)NCH3) by HBF4 center dot Et2O showed that the nature of the reaction product depends on whether the reaction is conducted in acetone or in dichloromethane. In acetone, an N-protonated form, 2, is isolated. Tautomerization of 2 in CH2Cl2 gives rise to a mu-hydride species 3. Variable-temperature NMR experiments have been performed to clarify the processes involved.

  DOI：

  10.1021/ic801369u

文献信息

• Biomimics of [FeFe]-hydrogenases with a pendant amine: Diphosphine complexes [Fe2(CO)4{µ-S(CH2)nS}{κ2-(Ph2PCH2)2NR}] (n = 2, 3; R = Me, Bn) towards H2 oxidation catalysts
  作者：Georgia R.F. Orton、Sara Belazregue、Jeremy K. Cockcroft、František Hartl、Graeme Hogarth

  DOI：10.1016/j.jorganchem.2023.122673

  日期：2023.6

  the synthesis and molecular structures of [FeFe]-ase biomimics [Fe2(CO)4µ-S(CH2)nS}κ2-(Ph2PCH2)2NR}] (1–4) (n = 2, 3; R = Me, Bn) and a comparative study of their protonation and redox chemistry, with the aim of assessing their activity as catalysts for H2 oxidation. They are prepared in good yields upon heating the hexacarbonyls and PCNCP ligands in toluene, a minor product of one reaction (n = 3

  我们报告了 [FeFe]-aSE 仿生学 [Fe 2 (CO) 4 µ-S(CH 2 ) n S}κ 2 -(Ph 2 PCH 2 ) 2 NR}] ( 1–4 ) ( n  = 2, 3; R  = Me, Bn) 以及它们的质子化和氧化还原化学的比较研究，目的是评估它们作为 H 2氧化催化剂的活性。它们是在甲苯中加热六羰基和 PCNCP 配体后以良好的收率制备的，一个反应的次要产物 ( n  = 3, R  = Bn) 是五羰基 [Fe 2 (CO)5 (µ-pdt)Ph 2 PCH 2 N(H)Bn}] ( 5 )。晶体结构显示短的 Fe-Fe 键（约 2.54 Å），二膦占据基底-顶端位点。每个都经历准可逆的单电子氧化，IR-SEC 显示这导致形成半桥接羰基。正如之前所观察到的，质子化产物依赖于溶剂，在 d 6 -丙酮中加入一当量的 HBF 4 .Et 2 O后，氮是质子化位点的有利位点，而在