bis(perfluorophenyl)iodonium fluoride | 121824-93-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: bis(perfluorophenyl)iodonium fluoride
• CAS: 121824-93-9
• 化学式: C₁₂F₁₀I*F
• 分子量: 480.019
• InChiKey: YVUSMFZJGMOFOV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.79
• 重原子数：
  24.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  bis(perfluorophenyl)iodonium fluoride 在 三甲基氯硅烷 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以91%的产率得到
  参考文献：
  名称：

  Interaction of the electrophilic bis(pentafluorophenyl)iodonium cation [(C6F5)2I]+ with the ambident pseudohalogenide anions [SCN]− and [CN]−

  摘要：

  The iodonium pseudohalide compounds, [(C6F5)(2)I][X] (X = SCN and CN) were synthesized by means of fluoride substitution in [(C6F5)(2)I][F] with the Lewis acidic reagents (CH3)(3)Si-NCS and (CH3)(3)Si-CN. The isolated iodonium pseudohalides are intrinsically unstable solids. Decomposition resulted in equimolar amounts of C6F5I and C6F5SCN or C6F5I and C6F5CN, respectively. In case of [(C6F5)(2)I][SCN] single crystals could be grown from CH2Cl2. The crystal structure revealed a dimer with an eight membered ring formed by two ambident anions bridging the iodine atoms of two cations by N and S coordination. The favored dimerization of [(C6F5)(2)I][SCN] and [(C6F5)(2)I][CN] in the gas phase is supported by ab initio computations. (C) 2014 Published by Elsevier B.V.

  DOI：

  10.1016/j.jfluchem.2014.04.006
• 作为产物：
  描述：

  五氟(二氟碘)苯 、 tris(pentafluorophenyl)bismuth 在 sodium fluoride 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 1.0h， 以91%的产率得到bis(perfluorophenyl)iodonium fluoride
  参考文献：
  名称：

  Interaction of the electrophilic bis(pentafluorophenyl)iodonium cation [(C6F5)2I]+ with the ambident pseudohalogenide anions [SCN]− and [CN]−

  摘要：

  The iodonium pseudohalide compounds, [(C6F5)(2)I][X] (X = SCN and CN) were synthesized by means of fluoride substitution in [(C6F5)(2)I][F] with the Lewis acidic reagents (CH3)(3)Si-NCS and (CH3)(3)Si-CN. The isolated iodonium pseudohalides are intrinsically unstable solids. Decomposition resulted in equimolar amounts of C6F5I and C6F5SCN or C6F5I and C6F5CN, respectively. In case of [(C6F5)(2)I][SCN] single crystals could be grown from CH2Cl2. The crystal structure revealed a dimer with an eight membered ring formed by two ambident anions bridging the iodine atoms of two cations by N and S coordination. The favored dimerization of [(C6F5)(2)I][SCN] and [(C6F5)(2)I][CN] in the gas phase is supported by ab initio computations. (C) 2014 Published by Elsevier B.V.

  DOI：

  10.1016/j.jfluchem.2014.04.006