2,2,2-三氟乙基自由基 | 3248-58-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 中文名称: 2,2,2-三氟乙基自由基
• 英文名称: 2,2,2-trifluoroethyl
• 英文别名: trifluoroethyl radical；2,2,2-trifluoro-ethyl；β,β,β-trifluoroethyl radical；2,2,2-trifluoroethyl radical；β,β,β-Trifluorethyl-Radikal；β,β,β-Trifluor-ethyl
• CAS: 3248-58-6
• 化学式: C₂H₂F₃
• 分子量: 83.0331
• InChiKey: COLOHWPRNRVWPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  氢气 、 2,2,2-三氟乙基自由基 生成 氢氟酸
  参考文献：
  名称：

  Sirkin, E. R.; Berry, M. J., IEEE Journal of Quantum Electronics, 1974, vol. 10, p. 701 - 702

  摘要：

  DOI：
• 作为产物：
  描述：

  三氟乙烷 在 氯 作用下， 生成 2,2,2-三氟乙基自由基
  参考文献：
  名称：

  Reactions of ground state chlorine atoms with fluorinated methanes and ethanes

  摘要：

  The reactions of photochemically generated Cl(2PJ) atoms with a number of fluorohydrocarbons have been investigated in the temperature range 8–95 °C by the competitive photochlorination technique using CH4 as a primary standard. Relative and absolute rate parameters are reported for CH3F, CH2F2, CH3CH2F, CH2FCH2F, CH3CHF2, CH3CF3, CH2FCHF2, CHF2CHF2, and several auxiliary reactions including CH3Cl, C2H6, and C3H8. The internal competition for hydrogen abstraction in asymmetric fluorethanes is examined in detail. The reactivity trends are discussed and it is found that the activation energies in the fluoromethane series correlate with the known C–H bond dissociation energies. The hydrogen reactivity in the fluoroethane series for which a sufficient data base of DH°(C–H) values is not available is best rationalized in terms of inductive effects and resonance interactions.

  DOI：

  10.1063/1.448737

文献信息

• Reaction of phenylchlorocarbene and diphenylcarbene with the carbon-chlorine bond: kinetics and mechanisms
  作者：Michelle B. Jones、Vincent M. Maloney、Matthew S. Platz

  DOI：10.1021/ja00032a034

  日期：1992.3

  The reactions of phenylchlorocarbene (PCC) and diphenylcarbene (DPC) with carbon-chlorine bonds were investigated by laser flash photolysis techniques, product studies, and electrochemical methods. The data with both carbenes are consistent with a polar chlorine atom transfer to form radical pairs. The PCC reaction can be thought of as an inner sphere electron transfer from the carbene to the carbon-halogen

  通过激光闪光光解技术、产物研究和电化学方法研究了苯基氯卡宾 (PCC) 和二苯基卡宾 (DPC) 与碳-氯键的反应。两种卡宾的数据与极性氯原子转移形成自由基对一致。PCC 反应可以被认为是从卡宾到碳卤键的内球电子转移，其中在过渡态中形成了部分碳卤键。过渡态被认为涉及闭壳和开壳单线态表面之间的交叉。DPC 与氯供体反应获得的数据类似于 PCC 获得的数据，但更难以解释，因为与 C-Cl 键反应的状态的多样性尚不清楚。40 个参考文献，10 个图，9 个标签。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: SVol.3, 2.1.8.5.3, page 141 - 145
  作者：

  DOI：——

  日期：——
• Laser emission and energy partitioning in the reaction of oxygen atoms with 3,3,3-trifluoromethylacetylene
  作者：D. S. Y. Hsu、Laura J. Colcord、M. C. Lin

  DOI：10.1021/j100490a026

  日期：1978.1
• Atmospheric Chemistry of HFC-143a: Spectrokinetic Investigation of the CF3CH2O2.bul. Radical, Its Reactions with NO and NO2, and the Fate of CF3CH2O
  作者：Ole J. Nielsen、Elisabeth Gamborg、Jens Sehested、Timothy J. Wallington、Michael D. Hurley

  DOI：10.1021/j100089a026

  日期：1994.9

  The ultraviolet absorption spectrum of CF3CH2O2 radicals, the kinetics of their self-reaction, and their reactions with NO and NO2 have been studied in the gas phase at 296 K using a pulse radiolysis technique. A long path-length Fourier transform infrared technique was used to study the fate of CF3CH2O radicals. Absorption cross sections were quantified over the wavelength range 220-300 nm. At 250 nm, sigma(CF3CH2O2) = (2.73 +/- 0.31) x 10(-18) molecule(-1). By monitoring the rate of NO2 formation, k(4) = (1.2 +/- 0.3) x 10(-11) cm(3) molecule(-1) s(-1) was found for the reaction of CF3CH2O2 radical with NO. The reaction of CF3CH2O2 radicals with NO gives CF3CH2O radicals. in the atmosphere, >99.3% of the CF3CH2O radicals react with O-2 to give CF3CHO. By monitoring the rate of NO2 decay, k(5) = (5.8 +/- 1.1) x 10(-12) cm(3) molecule(-1) s(-1) was found for the reaction of CF3CH2O2 radical with NO2. The results are discussed with respect to the atmospheric chemistry of CF3CH3 (HFC-143a). As a part of the present work, relative rate techniques were used to measure the following rate constants: (2.6 +/- 0.7) x 10(-12) and (2.0 +/- 0.5) x 10(-12) for the reaction of F atoms with CF3CH3, (5.5 +/- 0.3) x 10(-11) for the reaction of F atoms with CF3CH2OH, and (3.6 +/- 0.2) x 10(-17) for the reaction with Cl atoms with CF3CH3 (units of cm(3) molecule(-1) s(-1)).
• Atmospheric fate of difluoromethane, 1,1,1-trifloroethane, pentafluoroethane, and 1,1-dichloro-1-fluoroethane: rate coefficients for reactions with hydroxyl and UV absorption cross sections of 1,1-dichloro-1-fluoroethane
  作者：Ranajit Talukdar、Abdelwahid Mellouki、Tomasz Gierczak、James B. Burkholder、Stuart A. McKeen、A. R. Ravishankara

  DOI：10.1021/j100168a021

  日期：1991.7

  The absolute rates coefficients for reactions of hydroxyl radical with four halocarbons (CH2F2(HFC-32), CH3CF3(HFC-143a), CF3CHF2(HFC-125), and CH3CFCl2(HCFC-141b)), which are potential substitutes for CFCs, were measured by using the discharge flow-laser magnetic resonance and pulsed photolysis-laser-induced fluorescence techniques between 222 and 393 K. The UV absorption cross sections for HCFC-141b between 190 and 230 nm were also measured as functions of temperature. These kinetics and cross-section data are compared with results from previous studies. These data were incorporated into a one-dimensional photochemical transport model to estimate the tropospheric and atmospheric lifetimes needed to assess the ozone depletion potential and the global warming potential of these substitutes. The atmospheric lifetime of CH3CHCl2 (HCFC-141b) is approximately 50% longer than the previously accepted value.