(oxygen)(tetraphenylporphirine)(1-methylimidazole)cobalt(2+) | 93222-64-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (oxygen)(tetraphenylporphirine)(1-methylimidazole)cobalt(2+)
• CAS: 93222-64-1
• 化学式: C₄₈H₃₄CoN₆O₂
• 分子量: 785.83
• InChiKey: KYTIUDMQZUTXNI-NBICUONBSA-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

• 作为产物：
  描述：

  cobalt(II) 5,10,15,20-tetraphenylporphyrin 、 1-methylimidazole 在 氧气 作用下， 以 甲苯 为溶剂， 生成 (oxygen)(tetraphenylporphirine)(1-methylimidazole)cobalt(2+)
  参考文献：
  名称：

  Continuous Wave and Pulse EPR and ENDOR Study of Oxygenated Cobalt(II) Heme Model Systems

  摘要：

  Continuous wave (CW) and pulse electron paramagnetic resonance (EPR), and electron nuclear double resonance (ENDOR) techniques were used to study frozen solutions of (oxyCo)TPP(L) (TPP = tetraphenylporphyrin, L = pyridine, 1-methylimidazole). By using a combination of CW EPR at X-, Q-, and W-band and Davies-ENDOR at Q-band, the g and cobalt hyperfine matrices and their corresponding principal axes were, for the first time, determined in detail. The variation of the g values as a function of temperature was followed by Q-band CW EPR. The existing ambiguity about the assignment of one of the g principal axes to the O-O bound direction was analyzed in detail. By studying the different proton interactions with Mims-ENDOR at X-band, a considerable solvent effect was found. With hyperfine sublevel correlation (HYSCORE) at X-band and two-pulse ESEEM (electron spin-echo envelope modulation) at S-band, the hyperfine and nuclear quadrupole interactions of the nitrogen nuclei of the axial ligand and the TPP ligand were determined. All the magnetic parameters were analyzed as a function of the geometrical and electronic structure of the complexes.

  DOI：

  10.1021/jp993668c