| 612806-69-6

• CAS: 612806-69-6
• 化学式: C₄₇H₃₂ClInN₆
• 分子量: 831.084
• InChiKey: QRSHKAPOQDUVBS-NBICUONBSA-M

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：

  咪唑 、 (5,10,15,20-tetraphenylporphyrinato)(chloro)indium(III) 以 氯仿 为溶剂， 生成
  参考文献：
  名称：

  摘要：

  The formation of Ga3+, In3+, and Tl3+ tetraphenylporphine mixed-ligand complexes (X)MTPP + L = (X)M(L)TPP (X = Cl-, AcO-, acac; L = N-methylimidazole, imidazole, pyridine, 3,5-dimethylpyrazole, dimethylformamide) in chloroform was studied by spectrophotometric titration and quantum-chemical calculations. The stability of the Ga, In, and Tl porphyrin extra complexes was found to depend on the nature of the acido and nitrogen-containing ligands. The geometric and energetic characteristics of the complexes of six-coordinate gallium and indium porphyrins were calculated. Correlations between calculated and experimental energies of formation and Gibbs energies were found. The cis- and trans-effects of ligands in the extra complexes of metal porphyrins were explained.

  DOI：

  10.1023/a:1023455325461