1,3-dibromo-5,6-di(hexadecyloxy)cyclobutathieno<3,4-b>pyrazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1,3-dibromo-5,6-di(hexadecyloxy)cyclobutathieno<3,4-b>pyrazine
• 英文别名: 9,11-Dibromo-4,5-dihexadecoxy-10-thia-2,7-diazatricyclo[6.3.0.03,6]undeca-1(11),2,4,6,8-pentaene
• 化学式: C₄₀H₆₆Br₂N₂O₂S
• 分子量: 798.85
• InChiKey: HJURQVRNOCEJEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.5
• 重原子数：
  47
• 可旋转键数：
  32
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  72.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(trimethylstannyl)thiophene 、 1,3-dibromo-5,6-di(hexadecyloxy)cyclobutathieno<3,4-b>pyrazine 在 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 四氢呋喃 为溶剂， 生成 1,2-Bis-hexadecyloxy-4,6-di-thiophen-2-yl-5-thia-3,7-diaza-cyclobuta[f]indene
  参考文献：
  名称：

  Linear and third order nonlinear optical properties of substituted oligothiophenes

  摘要：

  Low band gap polythiophene derivatives synthesized using the method of Stille coupling have shown good third order nonlinear optical properties. In order to gain more insight into the structure/property relationship in these materials, we measured the optical properties of a number of oligothiophene derivatives. In addition to linear absorption spectra, we investigated the third order nonlinear optical properties using Z-scan at a number of wavelengths. As in other conjugated oligomers, the properties depend strongly on chain length. We also observe significant dependence on the substituent type, number, and position, with strong enhancement of the oscillator strength for asymmetric substitution. The resonance nonlinear absorption shows strong saturation behavior, in general changing to induced absorption off-resonance. The nonlinear refractive indices were negative near resonance, suggesting the possibility of thermal effects. While off-resonant nonlinear refractive indices were small, in the five substances for which they could be measured, the values were found to be negative, suggesting that resonant enhancement is still playing a role.

  DOI：

  10.1063/1.478226

文献信息

• SUBSTITUIERTE POLYTHIOPHENE, VERFAHREN ZU DEREN HERSTELLUNG, UND DEREN VERWENDUNG
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP0885251B1

  公开（公告）日：2001-08-16
• US6242561B1
  申请人：——

  公开号：US6242561B1

  公开（公告）日：2001-06-05
• Linear and third order nonlinear optical properties of substituted oligothiophenes
  作者：Edward Van Keuren、Helmut Möhwald、Stanislaw Rozouvan、Wolfgang Schrof、Vladimir Belov、Hiro Matsuda、Shinji Yamada

  DOI：10.1063/1.478226

  日期：1999.2.15

  Low band gap polythiophene derivatives synthesized using the method of Stille coupling have shown good third order nonlinear optical properties. In order to gain more insight into the structure/property relationship in these materials, we measured the optical properties of a number of oligothiophene derivatives. In addition to linear absorption spectra, we investigated the third order nonlinear optical properties using Z-scan at a number of wavelengths. As in other conjugated oligomers, the properties depend strongly on chain length. We also observe significant dependence on the substituent type, number, and position, with strong enhancement of the oscillator strength for asymmetric substitution. The resonance nonlinear absorption shows strong saturation behavior, in general changing to induced absorption off-resonance. The nonlinear refractive indices were negative near resonance, suggesting the possibility of thermal effects. While off-resonant nonlinear refractive indices were small, in the five substances for which they could be measured, the values were found to be negative, suggesting that resonant enhancement is still playing a role.