5,26:13,18-diimino-7,11:20,24-dinitrilo-dibenzo{c,n}-1,6,12,17-tetraazacyclodocosine hydrate | 104987-34-0

• 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: 5,26:13,18-diimino-7,11:20,24-dinitrilo-dibenzo{c,n}-1,6,12,17-tetraazacyclodocosine hydrate
• CAS: 104987-34-0
• 化学式: C₂₆H₁₆N₈*H₂O
• 分子量: 458.482
• InChiKey: YCEXDBWQDALZII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.49
• 重原子数：
  35.0
• 可旋转键数：
  0.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  140.42
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  iron(II) chloride tetrahydrate 、 5,26:13,18-diimino-7,11:20,24-dinitrilo-dibenzo{c,n}-1,6,12,17-tetraazacyclodocosine hydrate 以 N,N-二甲基甲酰胺 为溶剂， 以28%的产率得到chloro(5,26:13,18-diimino-7,11:20,24-dinitrilodibenzo{c,n}-1,6,12,17-tetraazacyclodocosinato)iron(III)
  参考文献：
  名称：

  Sakata, Kazunori; Gondo, Kenji; Hayashi, Yu-ichi, Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1991, vol. 21, p. 17 - 32

  摘要：

  DOI：
• 作为产物：
  描述：

  hemiporphyrazine 在 水 作用下， 以 苯甲醇 为溶剂， 反应 2.0h， 以98%的产率得到5,26:13,18-diimino-7,11:20,24-dinitrilo-dibenzo{c,n}-1,6,12,17-tetraazacyclodocosine hydrate
  参考文献：
  名称：

  Excitonic Luminescence of Hemiporphyrazines

  摘要：

  Metal-free hemiporphyrazine (HpH(2)) is a notoriously insoluble material possessing interesting photophysical properties. Here we report the synthesis, structure, and photophysical properties of an octahedral zinc trans-ditriflate hemiporphyrazine complex "HpH(2)Zn(OTf)(2)" that contains a neutral hemiporphyrazine ligand. The photophysical properties of hemiporphyrazine are largely unaffected by introduction of zinc(II) triflate, but a dramatic increase in solubility is observed. HpH(2)Zn(OTf)(2) therefore provides a convenient model system to evaluate the impact of aggregation on the photophysical properties of hemiporphyrazine. Soluble aggregates and crystalline materials containing planar hemiporphyrazines exhibit relatively strong absorbance of visible light (450-600 nm) and red luminescence (600-700 nm). Hemiporphyrazine monohydrate (HpH(2)center dot H2O), in contrast, has a nonplanar "saddle-shaped" conformation that exhibits very little absorbance of visible light in solution or in the solid state. Upon photoexcitation at 380 nm, HpH(2)Zn(OTf)(2) and HpH(2) exhibit multiwavelength emissions centered at 450 and 650 nm. Emissions at 450 nm are highly anisotropic, while emissions at 650 nm are fully depolarized with respect to a plane-polarized excitation source. Taken together, our results suggest that excitonic coupling of aggregated and crystalline hemiporphyrazines results in increased absorbance and emission of visible light from S-0 <-> S-1 transitions that aye usually symmetry forbidden in isolated species. In contrast to previously proposed theories involving excited-state intramolecular proton transfer, we propose that the multiple-wavelength luminescent emissions of HpH(2)Zn(OTf)(2) and HpH(2) are due to emissive S-1 and S-2 states in aggregated and crystalline hemiporphyrazines. These results may provide a better understanding of the nonlinear optical properties of these materials in solution and in the solid state.

  DOI：

  10.1021/ic2017566

文献信息

• Characterization and spectral properties of oxovanadium(IV), palladium(II) and lead(II) complexes of hemiporphyrazine
  作者：Kazunori Sakata、Yu-Ichi Hayashi、Kenji Gondo、Mamoru Hashimoto

  DOI：10.1016/s0020-1693(00)90354-2

  日期：1989.2