zinc tetra(tert-butyl)porphyrazine | 193157-64-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: zinc tetra(tert-butyl)porphyrazine
• 英文别名: zinc tetra(tert-butyl)tetraazaporphyrine；zinc;4,9,14,19-tetratert-butyl-2,7,12,17,21,22-hexaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,4,6,8,10,12,14,16(22),17,19-undecaene
• CAS: 193157-64-1
• 化学式: C₃₂H₄₀N₈Zn
• 分子量: 602.113
• InChiKey: AJYSPNRBXPXOBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.92
• 重原子数：
  41
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,7,12,17-四叔丁基-5，10,15,20-四氮杂-21H,23H-卟啉 、 zinc diacetate 以 戊醇 为溶剂， 生成 zinc tetra(tert-butyl)porphyrazine
  参考文献：
  名称：

  Photoelectron Spectroscopy on Thin Films of Extended Zinc Porphyrazines

  摘要：

  Photoemission measurements were performed on a series of stepwise benzoannelated zinc porphyrazine molecules in thin films. The electronic structure of tert-butyl-substituted zinc tetraazaporphyrin, phthalocyanine, and naphthalocyanine is investigated using mainly EUV synchrotron radiation. A detailed analysis of the zinc satellites in the spectra of the valence region is performed in an attempt to infer the effect of ligand size extension on the metal-ligand interactions. No differences in the character of the bond between zinc and ligand were detected as a function of ligand size. The results are compared with those for the respective metal-free and copper-containing molecules.

  DOI：

  10.1021/jp046576i

文献信息

• Photoelectron Spectroscopy on Thin Films of Extended Zinc Porphyrazines
  作者：D. Pop、B. Winter、W. Freyer、W. Widdra、I. V. Hertel

  DOI：10.1021/jp046576i

  日期：2005.4.1

  Photoemission measurements were performed on a series of stepwise benzoannelated zinc porphyrazine molecules in thin films. The electronic structure of tert-butyl-substituted zinc tetraazaporphyrin, phthalocyanine, and naphthalocyanine is investigated using mainly EUV synchrotron radiation. A detailed analysis of the zinc satellites in the spectra of the valence region is performed in an attempt to infer the effect of ligand size extension on the metal-ligand interactions. No differences in the character of the bond between zinc and ligand were detected as a function of ligand size. The results are compared with those for the respective metal-free and copper-containing molecules.