(μ-1,3-propanedithiolato)[Fe(CO)3][Fe(CO)2(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)] | 917370-57-1

• 英文名称: (μ-1,3-propanedithiolato)[Fe(CO)3][Fe(CO)2(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)]
• 英文别名: (μ-pdt)[Fe(CO)3][Fe(CO)2(DAPTA)]
• CAS: 917370-57-1
• 化学式: C₁₇H₂₂Fe₂N₃O₇PS₂
• 分子量: 587.177
• InChiKey: RJPHPARKCMPZIX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  1,3-(μ-propanedithiolato)diironhexacarbonyl 、 3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane 以 甲醇 、 乙腈 为溶剂， 以64%的产率得到(μ-1,3-propanedithiolato)[Fe(CO)3][Fe(CO)2(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)]
  参考文献：
  名称：

  An approach to water-soluble hydrogenase active site models: Synthesis and electrochemistry of diiron dithiolate complexes with 3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane ligand(s)

  摘要：

  In order to improve the hydro- and protophilicity of the active site models of the Fe-only hydrogenases, three diiron dithiolate complexes with DAPTA ligand(s) (DAPTA=3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonanc), (mu-pdt)[Fe(CO)(2)][Fe(CO)(2)(DAPTA)] (1, pdt = 1,3-propanedithiolato), (mu-pdt)[Fe(CO)(2)(DAPTA)](2) (2) and (mu-pdt)[Fe(CO)(2)(PTA)][Fe(CO)(2)(DAPTA)] (3), were prepared and spectroscopically characterized. The water solubility of DAPTA-coordinate complexes 1-3 is better than that of the PTA-coordinate analogues. With complexes 1-3 as electrocatalysts, the overvoltage is reduced by 460-770 mV for proton reduction from acetic acid at low concentration in CH3CN. Significant decrease, up to 420 mV, in reduction potential for the Fe(I)Fe(I) to Fe(I)Fe(0) process and the curve-crossing phenomenon are observed in cyclic voltammograms of 2 and 3 in CH3CN/H2O mixtures. The introduction of the DAPTA ligand to the diiron dithiolate model complexes indeed makes the water solubility of 2 and 3 sufficient for electrochemical studies in pure water, which show that the proton reduction from acetic acid in pure water is electrochemically catalyzed by 2 and 3 at ca. -1.3 V vs. NHE. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.08.082