Zn(phthalocyaninate)(4-picoline) | 54906-76-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: Zn(phthalocyaninate)(4-picoline)
• 英文别名: ZnPc(4-Mepy)
• CAS: 54906-76-2
• 化学式: C₃₈H₂₃N₉Zn
• 分子量: 671.051
• InChiKey: COTBBYOICIJSJS-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：

  Zn(phthalocyaninate)(4-picoline) 以 neat (no solvent) 为溶剂， 生成 酞菁锌
  参考文献：
  名称：

  Comparative study of beryllium, magnesium and zinc phthalocyanine complexes with 4-picoline

  摘要：

  Three new Be(II), Mg(II) and Zn(II) phthalocyaninato(2-) complexes with 4-picoline (4-Mepy) in the crystalline form have been obtained by recrystallization of the respective M(II)Pc in 4-picoline under water-free conditions. BePc and ZnPc in 4-picoline solution form 4 + 1 coordinated complexes, while the 4-Mepy molecules biaxially ligate MgPc. The planar phthalocyaninato(2-) macroring of BePc and ZnPc upon mono-axial ligation by the 4-Mepy molecule adopts the saucer-shape form. The interaction of the central M(II) with the ligated 4-Mepy molecule leads to a deviation of the metal from the centre cavity by similar to 0.31 angstrom and similar to 0.35 angstrom in the Be and Zn phthalocyaninato complexes, respectively. In MgPc, the Pc ring upon biaxial ligation retains a planar configuration. The axial M(II)N(4-Mepy) bond is longer than the four equatorial M(II)-N-iso bonds in Mg and Zn phthalocyaninato complexes, while in the Be complex the opposite relation between the axial and equatorial Be-N bonds is observed. Thermogravimetric analysis for all these compounds exhibits only one slope down, due to the loss of 4-Mepy molecules from the complexes, which transform finally into the respective M(II)Pc complexes in the beta-form. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.05.018
• 作为产物：
  描述：

  4-甲基吡啶 、 酞菁锌 以 further solvent(s) 为溶剂， 生成 Zn(phthalocyaninate)(4-picoline)
  参考文献：
  名称：

  Comparative study of beryllium, magnesium and zinc phthalocyanine complexes with 4-picoline

  摘要：

  Three new Be(II), Mg(II) and Zn(II) phthalocyaninato(2-) complexes with 4-picoline (4-Mepy) in the crystalline form have been obtained by recrystallization of the respective M(II)Pc in 4-picoline under water-free conditions. BePc and ZnPc in 4-picoline solution form 4 + 1 coordinated complexes, while the 4-Mepy molecules biaxially ligate MgPc. The planar phthalocyaninato(2-) macroring of BePc and ZnPc upon mono-axial ligation by the 4-Mepy molecule adopts the saucer-shape form. The interaction of the central M(II) with the ligated 4-Mepy molecule leads to a deviation of the metal from the centre cavity by similar to 0.31 angstrom and similar to 0.35 angstrom in the Be and Zn phthalocyaninato complexes, respectively. In MgPc, the Pc ring upon biaxial ligation retains a planar configuration. The axial M(II)N(4-Mepy) bond is longer than the four equatorial M(II)-N-iso bonds in Mg and Zn phthalocyaninato complexes, while in the Be complex the opposite relation between the axial and equatorial Be-N bonds is observed. Thermogravimetric analysis for all these compounds exhibits only one slope down, due to the loss of 4-Mepy molecules from the complexes, which transform finally into the respective M(II)Pc complexes in the beta-form. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.05.018