5,10,15,20-tetraphenylporphyrinatocobalt(II)*pyridine*dioxygen | 60470-41-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5,10,15,20-tetraphenylporphyrinatocobalt(II)*pyridine*dioxygen
• CAS: 60470-41-9
• 化学式: C₄₉H₃₃CoN₅O₂
• 分子量: 782.827
• InChiKey: XGALPUOCGVGLFR-NBICUONBSA-N

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

• 作为产物：
  描述：

  cobalt(II) 5,10,15,20-tetraphenylporphyrin 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 5,10,15,20-tetraphenylporphyrinatocobalt(II)*pyridine*dioxygen
  参考文献：
  名称：

  Resonance Raman excitation of oxygen (O2) stretching vibrations of oxy(tetraphenylporphyrinato)cobalt(II) at 457.9 nm

  摘要：

  DOI：

  10.1021/ja00341a090

文献信息

• Continuous Wave and Pulse EPR and ENDOR Study of Oxygenated Cobalt(II) Heme Model Systems
  作者：Sabine Van Doorslaer、Arthur Schweiger

  DOI：10.1021/jp993668c

  日期：2000.4.1

  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.