2-fluorovinyl radical | 910909-83-0

• 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: 2-fluorovinyl radical
• 英文别名: fluorovinyl radical；florovinyl radical；2-fluoro-vinyl
• CAS: 910909-83-0
• 化学式: C₂H₂F
• 分子量: 45.0363
• InChiKey: NOBDKKHGDAXNBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  3
• 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：
  1

反应信息

• 作为产物：
  描述：

  乙炔 在 三氟甲基次氟酸酯 作用下， 生成 2-fluorovinyl radical
  参考文献：
  名称：

  闪锌矿中乙炔和乙烯中的氟原子加成：K CHCHF和CH CH2CH2F在77 K时的电子顺磁共振

  摘要：

  DOI：

  10.1021/j100241a007

文献信息

• Fluorine atom addition to acetylene and ethylene in cancrinite: electron paramagnetic resonance of .cntdot.CHCHF and .cntdot.CH2CH2F at 77 K
  作者：P. Raghunathan、S. K. Sur

  DOI：10.1021/j100241a007

  日期：1983.9
• ——
  作者：E. Ya. Misochko、I. U. Goldschleger、A. V. Akimov、C. A. Wight

  DOI：10.1023/a:1011352831808

  日期：——

  Reactions of mobile fluorine atoms with C2H2, C2D2, and C2HD molecules in solid argon were studied by ESR and IR spectroscopic techniques. Highly resolved ESR spectra of the stabilized radicals CHF= (CH)-C-., CDF= (CD)-C-., CHF= (CD)-C-., and CDF= (CH)-C-. were obtained for the first time. Isotropic hyperfine constants on fluorine and proton nuclei were measured. it was found that the radicals formed in the reaction F + C2H2 correspond to the cis-beta -C2H2F. isomer. A comparison of the measured HFC constants with the values calculated by modern quantum-chemical methods allows the identification of the isomeric form of the radical, whereas vibrational analysis of the IR absorption spectra gives unreliable results. The calculation of the energy of the radical isomers predicts that CiS-beta -C2H2F. is more stable than trans-beta -C2H2F. by similar to1.0 kJ mol(-1).