pentacene-d14 | 63912-16-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: pentacene-d14
• 英文别名: 1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecadeuteriopentacene
• CAS: 63912-16-3
• 化学式: C₂₂H₁₄
• 分子量: 292.242
• InChiKey: SLIUAWYAILUBJU-WZAAGXFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  pentacene-d14 320.0 ℃ 、101.32 kPa 条件下， 生成 6,13-dihydropentacene-d16 、 6-pentacenone-d14 、 6,13-pentacenequinone-d12
  参考文献：
  名称：

  Pentacene Disproportionation during Sublimation for Field-Effect Transistors

  摘要：

  At moderate temperatures in flowing gas, pentacene undergoes a disproportionation reaction to produce 6,13-dihydropentacene (DHP) and a series of polycondensed aromatic hydrocarbons, including the previously unknown peripentacene (PP). The process requires activation by heating to 320 degreesC and is possibly catalyzed by impurities such as DHP, 6,13-pentacenequinone (PO), Al, or Fe found in the starting materials. These impurities also result in a decrease in the intrinsic field-effect mobility (FEM) of pentacene crystals. Subsequent purifications remove such impurities, thus inhibiting the formation of the disproportionation products and increasing the FEM of pentacene (2.2 cm(2)/Vs). These results clarify the importance of purification of semiconductive materials for measurements of intrinsic mobility and optimal device performance.

  DOI：

  10.1021/ja044586r