(OEP)Fe(NO)(1+) | 89596-92-9

• 英文名称: (OEP)Fe(NO)(1+)
• 英文别名: Fe(octaethylporphyrinate)(nitrosyl)(1+)
• CAS: 89596-92-9
• 化学式: C₃₆H₄₄FeN₅O
• 分子量: 618.625
• InChiKey: OFUCTALXFFFWDF-YAJYDHHFSA-N

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

• 作为反应物：
  描述：

  N-甲基咪唑 、 (OEP)Fe(NO)(1+) 以 二氯甲烷 为溶剂， 生成 iron(III) octaethylporphyrin bis(1-methylimidazole)(1+)
  参考文献：
  名称：

  Model Studies of Nitrosyl Intermediates in the Catalytic Cycle of Dissimilatory Nitrite Reductases

  摘要：

  As models for a reaction intermediate in the catalytic cycle of dissimilatory nitrite reductases, we have examined one-electron oxidation of nitrosyl-iron(II) complexes of octaethylporphyrin (OEP, 1a), oxooctaethylchlorin (oxo-OEC, 1b), and dioxooctaethylisobacteriochlorin (dioxo-OEiBC, 1c). While (OEP)Fe-III(NO) 2a is obtained in the oxidation of 1a, the oxidation products of 1b and 1c afford absorption spectra characteristic of chlorin and isobacteriochlorin pi-cation radicals. The formation of the pi-cation radical complexes (2b and 2c) is confirmed by a variety of methods including electronic absorption, ESR, NMR and IR spectroscopies. The presence of NO in 2b and 2c as the fifth ligand is evidenced by the observation of nu(15NO) bands at 1686 and 1699 cm(-1), respectively. These results are rationalized by the stabilization of the iron d orbital levels in 2b and 2c. Sixth-ligand effects on the electronic structures of the oxidation products (2a-c) have also been investigated. Ligation of N-methylimidazole (N-MeIm) to 2b and 2c causes valence isomerization to give Fe-II(NO+)-(N-MeIm) complexes (3b and 3c) as well as (OEP)Fe-II(NO+)(N-MeIm) (3a). Although the six-coordinated imidazole adducts (3a-c) are formulated as Fe-II(NO+)(N-MeIm), the oxo derivatives (3b and 3c) readily release the NO ligand in the presence of an additional 1 mol equiv of N-MeIm: 3a is relatively stable under the same condition.

  DOI：

  10.1021/ic00129a022
• 作为产物：
  描述：

  octaethylporphyrin iron(II) nitrosyl 在 N((CH₂)3CH₃)4ClO₄ 作用下， 以 二氯甲烷 为溶剂， 生成 (OEP)Fe(NO)(1+)
  参考文献：
  名称：

  Mu; Kadish, Inorganic Chemistry, 1990, vol. 29, # 5, p. 1031 - 1036

  摘要：

  DOI：