三氟乙烯基 | 4605-17-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 中文名称: 三氟乙烯基
• 英文名称: perfluorovinyl radical
• 英文别名: trifluorovinyl radical
• CAS: 4605-17-8
• 化学式: C₂F₃
• 分子量: 81.0172
• InChiKey: MHNPWFZIRJMRKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• 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：
  3

反应信息

• 作为产物：
  描述：

  六氟丙烯 生成 三氟甲基自由基 、 三氟乙烯基
  参考文献：
  名称：

  Competing Pathways in the Infrared Multiphoton Dissociation of Hexafluoropropene

  摘要：

  The infrared multiphoton dissociation of hexafluoropropene was studied by photofragment translational spectroscopy. Two primary channels and one secondary channel were identified. The predominant primary channel produces CF3CF or C2F4 and CF2, with the heavier species undergoing further dissociation to two CF2 fragments. A number of dissociation mechanisms are proposed for the elimination of CF2, including direct cleavage of the carbon-carbon double bond. In the second primary channel, a simple bond rupture reaction produces CF3 and C2F3. As expected, the translational energy distribution for this channel peaks near zero, indicating no exit barrier is present. The activation energy for this simple bond rupture is estimated to be 100-105 kcal/mol. The branching ratio, [CF2]/[CF2], between the two primary pathways is 4.0 +/- 1.0.

  DOI：

  10.1021/jp960653v

文献信息

• Reactions of gallium atoms
  作者：S. A. Mitchell、P. A. Hackett、D. M. Rayner、M. Cantin

  DOI：10.1021/j100281a020

  日期：1986.11
• Photodissociation dynamics of trifluoroethylene at 157 nm excitation
  作者：J. J. Lin、T. C. Hsu、D. W. Hwang、Y. T. Lee、X. Yang

  DOI：10.1063/1.477770

  日期：1998.12.22

  Photodissociation of trifluoroethylene (F2CCFH) at 157 nm has been investigated using photofragment translational spectroscopy. Four dissociation channels have been experimentally observed: molecular HF elimination, H atom elimination, F atom elimination, and double bond breaking. Double bond breaking is found to be the most important channel, while molecular HF elimination and H atom elimination are found to be significant. Contribution from F atom elimination is minor. Product translational energy distributions for all dissociation channels have been determined. The translational energy distributions for all four dissociation channels are peaked away from zero energy. This is quite similar to that of 1,1-difluoroethylene. Branching ratios and averaged energy partitions for all dissociation channels have also been estimated.
• Positive and negative ion formation in hexafluoroacetone by electron impact
  作者：P. Harland、John C. J. Thynne

  DOI：10.1021/j100696a008

  日期：1970.1
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D3, 1.3, page 6 - 6
  作者：

  DOI：——

  日期：——
• Broadband transient infrared laser spectroscopy of trifluorovinyl radical C2F3.cntdot.: experimental and ab initio results
  作者：Brent E. Wurfel、Nick Pugliano、Stephen E. Bradforth、Richard J. Saykally、George C. Pimentel

  DOI：10.1021/j100160a052

  日期：1991.4

  The trifluorovinyl radical (C2F3.) is identified by using infrared spectroscopy. Real-time broadband infrared laser and diode infrared laser absorption spectra of the trifluorovinyl radical were measured. The radical was generated from UV laser photolysis of trifluoroiodoethene (C2F3I) at 248 nm in the gas phase. The observed vibrational frequencies and intensities [nu-2, 1290 (+/- 5) cm-1, 106 (+/- 39) km mol-1; and nu-3, 1225 (+/- 5) cm-1, 119 (+/- 41) km mol-1] are in good agreement with ab initio values calculated in this work. Pseudo-first-order decay kinetics of the transient vibrational bands were observed. Analysis of the photoproducts with Fourier transform infrared spectroscopy showed that 1,3-hexafluorobutadiene (C4F6) was present in high concentration. It was probably formed from the reaction of trifluorovinyl radical with trifluoroiodoethene, as is consistent with the observed kinetics.