hexafluorobenzene anion

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: hexafluorobenzene anion
• 英文别名: Hexafluorbenzol-anion-radikal；Hexafluorbenzol-Radikalanion
• 化学式: C₆F₆
• 分子量: 186.056
• InChiKey: XURLBMJAXFYKCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• 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：
  7

反应信息

• 作为反应物：
  描述：

  hexafluorobenzene anion 以 环戊烷 为溶剂， 生成 六氟苯
  参考文献：
  名称：

  非极性液体中六氟苯阴离子的激光光解光谱

  摘要：

  DOI：

  10.1021/j100447a014
• 作为产物：
  描述：

  六氟苯 生成 hexafluorobenzene anion
  参考文献：
  名称：

  Effect of temperature on nondissociative electron attachment to perfluorobenzene

  摘要：

  Experiments are reported for the rate constants for electron attachment to perfluorobenzene in the temperature range 400 to 650 K. It is found that the rate constant actually decreases by more than two orders of magnitude when T is increased from 400 to 650 K. (AIP)

  DOI：

  10.1063/1.448526

文献信息

• Reactions of selected molecular anions with oxygen
  作者：W. B. Knighton、J. A. Bognar、E. P. Grimsrud

  DOI：10.1002/jms.1190300406

  日期：1995.4

  An investigation of the gas-phase reactions of molecular oxygen with the molecular anions of 17 compounds formed by resonance electron capture was undertaken using a pulsed e-beam high-pressure mass spectrometer. The molecular anions of sulphur hexafluoride, perfluromethylcyclohexane, cis- and trans-perfluorodecalin, m-chloronitrobenzene, o-, m-and p-fluoronitrobenzene and o-, m- and p-dinitrobenzene were found to be unreactive towards oxygen. Those of o- and p-chloronitrobenzene, penta- and perchlorobenzene, perfluorobenzene, and perfluorotoluene were found to react readily with oxygen. The second-order rate constants for these reactions are shown to bear an inverse dependence on temperature. The reactions involving o- and p-chloronitrobenezene and penta-and perchlorobenzene proceed via a branched mechanism by which an ion of the type [M + O − Cl]− and Cl− ion are simultaneously produced. A greater variety of negative ions are formed in the reactions of the molecular anions of perfluorobenzene and perfluorotoluene with oxygen. The electron affinities of pentachlorobenzene (0.7 eV) and perchlorobenzene (1.0 eV) are also reported for the first time.

  使用脉冲电子束高压质谱仪研究了分子氧与通过共振电子捕获形成的 17 种化合物的分子阴离子的气相反应。发现六氟化硫、全氟甲基环己烷、顺式和反式全氟萘烷、间氯硝基苯、邻、间和对氟硝基苯以及邻、间和对二硝基苯的分子阴离子与氧不发生反应。人们发现邻氯硝基苯和对氯硝基苯、五氯苯和全氯苯、全氟苯和全氟甲苯很容易与氧气发生反应。这些反应的二阶速率常数与温度成反比。涉及邻氯硝基苯和对氯硝基苯以及五氯苯和全氯苯的反应通过支化机理进行，同时产生 [M + O − Cl]− 类型的离子和 Cl− 离子。全氟苯和全氟甲苯的分子阴离子与氧气反应时会形成更多种类的负离子。五氯苯（0.7 eV）和全氯苯（1.0 eV）的电子亲和势也是首次报道。
• Gas-phase reactions of oxide and superoxide radical anions with C6F6
  作者：W. B. Knighton、T. M. Miller、A. A. Viggiano、R. A. Morris、J. M. Van Doren

  DOI：10.1063/1.477625

  日期：1998.12

  The reactions of O− and O2− with C6F6 and C6F6− with O2 were studied using the selected ion flow tube (SIFT) technique. The reaction rate constants and branching fractions were measured. The reactions of O− and O2− with C6F6 occur with near unit efficiency while that of C6F6− with O2 is about 2% efficient. The reaction of O− produces three ionic products, F−, C5F4−, and C6F5O−. The reaction of O2− with C6F6 produces five ionic decomposition products, C4F4−, F−, C4F2−, C5F4O−, C5F5O−, and the electron transfer product, C6F6−. The reaction of C6F6− with O2 produces products similar to those observed for the reaction O2− with C6F6.