| 148421-40-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• CAS: 148421-40-3
• 化学式: C₆₄H₇₂N₈O₂₁V
• 分子量: 1340.26
• InChiKey: DIKUFIOMNYAXDF-UHFFFAOYSA-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 potassium chloride 作用下， 以 甲醇 、 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Optical and ESR studies on dimerization of metallotetra-crowned phthalocyanines

  摘要：

  The cation and solvent induced dimerization of free base tetra-crowned phthalocyanine (H2tCRPc) and its metal derivatives (Ag2+ and VO2+) have been studied by optical and ESR methods. Dimerization induces a blue shift of Q and Soret bands in the optical spectrum with a reduction in intensity. The exciton formalism accounts for the spectral blue shift upon dimerization. ESR studies reveal the formation of a cofacial dimer with axial symmetry upon the addition of cations. The measured zero-field splitting values in parallel and perpendicular regions suggest that the two paramagnetic centres are separated by 4.9 angstrom in VOtCRPc and 4.8 angstrom in AgtCRPc. In the micellar medium, the dimerization effects are observed only in 0.1 M SDS, while the tetra-crowned phthalocyanines remain aggregated in 0.1 M CTAB and in 5% TX-100.

  DOI：

  10.1016/s0277-5387(00)84979-7
• 作为产物：
  描述：

  oxovanadium(IV) sulfate 、 tetra-15-crown-5-phthalocyanine 以 N,N-二甲基甲酰胺 为溶剂， 以30%的产率得到
  参考文献：
  名称：

  Optical and ESR studies on dimerization of metallotetra-crowned phthalocyanines

  摘要：

  The cation and solvent induced dimerization of free base tetra-crowned phthalocyanine (H2tCRPc) and its metal derivatives (Ag2+ and VO2+) have been studied by optical and ESR methods. Dimerization induces a blue shift of Q and Soret bands in the optical spectrum with a reduction in intensity. The exciton formalism accounts for the spectral blue shift upon dimerization. ESR studies reveal the formation of a cofacial dimer with axial symmetry upon the addition of cations. The measured zero-field splitting values in parallel and perpendicular regions suggest that the two paramagnetic centres are separated by 4.9 angstrom in VOtCRPc and 4.8 angstrom in AgtCRPc. In the micellar medium, the dimerization effects are observed only in 0.1 M SDS, while the tetra-crowned phthalocyanines remain aggregated in 0.1 M CTAB and in 5% TX-100.

  DOI：

  10.1016/s0277-5387(00)84979-7