1,2-dimethyl-3-hexylimidazolium iododibromide | 939821-54-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,2-dimethyl-3-hexylimidazolium iododibromide
• CAS: 939821-54-2
• 化学式: Br₂I*C₁₁H₂₁N₂
• 分子量: 468.014
• InChiKey: RTHMBECEQUQRQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  8.81
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  1-己基-2,3-二甲基咪唑啉碘化物 、 溴 以 氯仿 为溶剂， 生成 1,2-dimethyl-3-hexylimidazolium iododibromide
  参考文献：
  名称：

  Electrolytes for Dye-Sensitized Solar Cells Based on Interhalogen Ionic Salts and Liquids

  摘要：

  In this paper, we report on the preparation of interhalogen ionic liquids of the general formula [K+]XY2-, where K+ = 1,3-dialkylimidazolium, 1,2,3-trialkylimidazolium, or N-alkylpyridinium; XY2- = IBr2- or I2Br-. These compounds were characterized in solution and the solid state by NMR, IR, Raman, and mass spectroscopy. The crystal structure of the compound [Me(2)BuIm]IBr2 (7) shows that the IBr2- anion has a linear Br-I-Br structure. Indications of an equilibrium between different forms of XY2- anions in solution are observed. Interhalogen ionic salts and liquids were used as electrolyte components for encapsulated monolithic dye-sensitized solar cells. Overall light-to-electricity conversion efficiencies up to 6.4%, 5.0%, and 2.4% at 1000 W/m(2) were achieved by using electrolytes based on interhalogen ionic salts and gamma-butyrolactone, glutaronitrile, or native ionic liquids as solvents, respectively. Moreover, in terms of stability, the cell performance lost 9-14% of the initial performance after 1000 h illumination at 350 W/m(2).

  DOI：

  10.1021/ic062244b