| 144003-12-3

• CAS: 144003-12-3
• 化学式: C₄₇H₃₄FeN₄O₂
• 分子量: 742.66
• InChiKey: OZRBEQLLGVLAFA-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

• 作为反应物：
  描述：

  在 乙醇 作用下， 以 乙醇 为溶剂， 生成 {(ethanol)2iron(II)tetraphenylporphyrin}
  参考文献：
  名称：

  Photoinduced decarbonylation from carbonyliron tetraphenylporphyrin in ethanol: effects of axial imidazole studied by laser flash photolysis

  摘要：

  Photochemical reactions of carbonyliron(II) tetraphenylporphyrins, (CO)(L)FeIITPP (L = ethanol and imidazole) and bisimidazoleiron(II) tetraphenylporphyrin, (Im)2FeIITPP, in ethanol were systematically investigated by laser flash photolysis. The yields for photodissociation of CO from (CO)(C2H5OH)FeIITPP and (CO)(Im)FeIITPP were determined to be 0.53 and 0.9 at room temperature, respectively. On the basis of the quantum yield measurements in the temperature range 180-300 K, the activation energies for decarbonylation obtained for (CO)(C2H5OH)FeIITPP and (CO)(Im)FeIITPP were 0 and 4.9 kcal mol-1, respectively. No dissociation of the ligand L from (CO)(L)FeIITPP was detected. The photochemical dissociation of the axial imidazole from (IM)2FeIITPP was also studied. The yield for photodissociation of imidazole obtained was 0. 1 8 at room temperature, and the activation energy was evaluated to be 2.6 kcal mol-1. It was found that (Im)(C2H5OH)FeIITPP produced by photolysis of both (CO)(Im)FeIITPP and (IM)2FeIITPP undergoes spontaneous base elimination to give (C2H5OH)2FeIITPP and imidazole, Im. The reactive excited states responsible for photodissociation of the axial ligands as well as the spontaneous base elimination reaction are discussed in detail.

  DOI：

  10.1021/j100201a034
• 作为产物：
  描述：

  {(ethanol)2iron(II)tetraphenylporphyrin} 、 一氧化碳 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Photoinduced decarbonylation from carbonyliron tetraphenylporphyrin in ethanol: effects of axial imidazole studied by laser flash photolysis

  摘要：

  Photochemical reactions of carbonyliron(II) tetraphenylporphyrins, (CO)(L)FeIITPP (L = ethanol and imidazole) and bisimidazoleiron(II) tetraphenylporphyrin, (Im)2FeIITPP, in ethanol were systematically investigated by laser flash photolysis. The yields for photodissociation of CO from (CO)(C2H5OH)FeIITPP and (CO)(Im)FeIITPP were determined to be 0.53 and 0.9 at room temperature, respectively. On the basis of the quantum yield measurements in the temperature range 180-300 K, the activation energies for decarbonylation obtained for (CO)(C2H5OH)FeIITPP and (CO)(Im)FeIITPP were 0 and 4.9 kcal mol-1, respectively. No dissociation of the ligand L from (CO)(L)FeIITPP was detected. The photochemical dissociation of the axial imidazole from (IM)2FeIITPP was also studied. The yield for photodissociation of imidazole obtained was 0. 1 8 at room temperature, and the activation energy was evaluated to be 2.6 kcal mol-1. It was found that (Im)(C2H5OH)FeIITPP produced by photolysis of both (CO)(Im)FeIITPP and (IM)2FeIITPP undergoes spontaneous base elimination to give (C2H5OH)2FeIITPP and imidazole, Im. The reactive excited states responsible for photodissociation of the axial ligands as well as the spontaneous base elimination reaction are discussed in detail.

  DOI：

  10.1021/j100201a034