zinc meso-tetraphenyltetra[2,3]naphthaloporphyrine | 97179-94-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: zinc meso-tetraphenyltetra[2,3]naphthaloporphyrine
• 英文别名: zinc meso-tetraphenyl-2,3-naphthoporphine；zinc tetraphenyltetranaphthoporphyrin；zinc meso-tetraphenyltetranaphthoporphyrin；meso-ZnPh4TNP；ZnPh4TNP；ZnTPTNP；zinc meso-tetraphenyltetra-2,3-naphthoporphine
• CAS: 97179-94-7
• 化学式: C₇₆H₄₄N₄Zn
• 分子量: 1078.6
• InChiKey: OQNJRXZSHPBBLG-ZTCHSXRYSA-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：

  zinc meso-tetraphenyltetra[2,3]naphthaloporphyrine 、 palladium dichloride 以 二氯甲烷 、 苯甲腈 、 三氟乙酸 为溶剂， 以90%的产率得到palladium meso-tetraphenyltetra[2,3]naphthaloporphyrin
  参考文献：
  名称：

  Luminescent Zn and Pd Tetranaphthaloporphyrins

  摘要：

  Zn and Pd complexes of meso-tetraphenyltetranaphthaloporphyrins (Ph4TNP) exhibit strong infrared absorption bands and luminesce in solutions at room temperature. S1 --> S0 fluorescence (lambda(max) = 732 nm, phi = 5.3%) is the predominant emission in the case of ZnPh4TNP (1). This emission is in part due to the delayed fluorescence (phi = 1.1%). Phosphorescence (T1 --> S0) of 1 (lambda(max) = 973 nm) is very weak ((p = 0.04%) and occurs with lifetime of about 440 mus in deoxygenated DMF In the case of PdPh4TNP (2), almost no S1 --> S0 fluorescence could be observed, while the main emission detected was T1 --> S0 phosphorescence (lambda(max) = 938 nm). The phosphorescence of 2 occurs with lifetime of about 65 mus and (0=6.5%) in deoxygenated DMF solution. Metalloporphyrins 1 and 2 are promising near infrared dyes biomedical applications.

  DOI：

  10.1021/ic034257k
• 作为产物：
  描述：

  以 neat (no solvent) 为溶剂， 以100%的产率得到zinc meso-tetraphenyltetra[2,3]naphthaloporphyrine
  参考文献：
  名称：

  [2,3]萘卟啉的新合成

  摘要：

  描述了使用 4,9-ethano-2H-benz[f]isoindole 作为 2H-benz[f]-isoindole 的合成子合成 [2,3] 萘卟啉的新方法；[2,3] 萘卟啉的可溶性前体通过简单地在 290 °C 加热即可转化为不溶性 [2,3] 萘卟啉。

  DOI：

  10.1039/b002213f

文献信息

• Observation and Interpretation of Annulated Porphyrins:  Studies on the Photophysical Properties of <i>m</i><i>eso-</i>Tetraphenylmetalloporphyrins
  作者：Joy E. Rogers、Kiet A. Nguyen、David C. Hufnagle、Daniel G. McLean、Weijie Su、Kristi M. Gossett、Aaron R. Burke、Sergei A. Vinogradov、Ruth Pachter、Paul A. Fleitz

  DOI：10.1021/jp0354705

  日期：2003.12.1

  metalloporphyrins in order to establish structure−property relationships. Specifically, we have examined the effects of substitution by meso-tetraphenylation, tetrabenzo and tetranaphtho annulation, and effects of changing the central metal from zinc (Zn) to palladium (Pd). Utilizing absorption and emission spectroscopy and laser flash photolysis techniques, the photophysical properties of these porphyrins have been

  我们展示了一系列环化金属卟啉的联合计算和实验研究结果，以建立结构-性质关系。具体来说，我们研究了通过中间体四苯基化、四苯并和四萘环化取代的效果，以及将中心金属从锌 (Zn) 变为钯 (Pd) 的效果。利用吸收和发射光谱以及激光闪光光解技术，已经确定了这些卟啉的光物理性质。在添加苯并或萘基后，我们观察到 B 带和 Q 带的基态吸收光谱总体红移，共轭增加和 Q 带与 B 带强度比增加。对两个系列的卟啉进行了时间相关的密度泛函理论计算，以确定苯基、苯并和萘并取代基对光谱的影响。苯并和萘加合物的贡献更大（通常为 40−9...
• Kuznetsova; Gretsova; Kalmykova, Russian Journal of General Chemistry, 2000, vol. 70, # 1, p. 133 - 140
  作者：Kuznetsova、Gretsova、Kalmykova、Makarova、Dashkevich、Negrimovskii、Kaliya、Luk'yanets

  DOI：——

  日期：——
• Kopranenkov, V. N.; Vorotnikov, A. M.; Dashkevich, S. N., Journal of general chemistry of the USSR, 1985, vol. 55, p. 803 - 809
  作者：Kopranenkov, V. N.、Vorotnikov, A. M.、Dashkevich, S. N.、Luk'yanets, E. A.

  DOI：——

  日期：——