bis(4-tert-butylpyridine)iodonium triodide | 1404307-97-6

• 英文名称: bis(4-tert-butylpyridine)iodonium triodide
• CAS: 1404307-97-6
• 化学式: C₁₈H₂₆IN₂*I₃
• 分子量: 778.036
• InChiKey: JEJWUEQFHLMGQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  4-叔丁基吡啶 在 碘 作用下， 以 甲醇 为溶剂， 以83%的产率得到bis(4-tert-butylpyridine)iodonium triodide
  参考文献：
  名称：

  Dye-sensitized solar cells and complexes between pyridines and iodines. A NMR, IR and DFT study

  摘要：

  Interactions between triiodide (I-3(-)) and 4-tert-butylpyridine (4TBP) as postulated in dye-sensitized solar cells (DSC) are investigated by means of C-13 NMR and IR spectroscopy supported by DFT calculations. The charge transfer (CT) complex 4TBP center dot I-2 and potential salts such as (4TBP)(2)I+, I-3(-) were synthesized and characterized by IR and C-13 NMR spectroscopy. However, mixing (butyl)(4)N+, I-3(-) and 4TBP at concentrations comparable to those of the DSC solar cell did not lead to any reaction. Neither CT complexes nor cationic species like (4TBP)(2)I+ were observed, judging from the C-13 NMR spectroscopic evidence. This questions the previously proposed formation of (4TBP)(2)I+ in DSC cells. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.08.006