碘二氟甲基 | 66720-78-3

• 分子结构分类: 有机化合物 - 有机卤素化合物
• 中文名称: 碘二氟甲基
• 英文名称: iododifluoromethyl
• 英文别名: difluoro-iodo-methyl；Difluorjodmethylradikal；Difluor-iodmethyl
• CAS: 66720-78-3
• 化学式: CF₂I
• 分子量: 176.912
• InChiKey: NPPUTQIGJYQQON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  4
• 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：
  2

反应信息

• 作为产物：
  描述：

  二碘二氟甲烷 以 gaseous matrix 为溶剂， 生成 二氟卡宾 、 碘二氟甲基
  参考文献：
  名称：

  Photofragmentation of CF₂I₂. Competition between radical and three‐body dissociation

  摘要：

  The photodissociation of CF2I2 following excitation into the first UV absorption band system has been studied by photofragment translational spectroscopy. Time-of-flight and angular distributions of the dissociation products measured at the photolysis wavelengths 351, 337, 308, and 248 nm reveal the competition between a radical channel that forms the fragment pairs CF2I+I and a three-body dissociation that yields CF2+I+I. These processes are found to occur via B1←A1 type electronic transitions. For the iodine atoms produced in the radical channel the spin–orbit branching ratio I*(2P1/2)/I(2P3/2) increases from I*/I=0.02 at 351 nm to I*/I=0.2 at 337 nm and reaches I*/I=2 at 308 nm. This wavelength-dependent selectivity of the I*/I ratio suggests that the absorption band system is composed of at least two overlapping B1←A1 transitions. Although energetically accessible at 351 nm (where CF2I from the radical channel decays spontaneously to CF2+I), the three-body dissociation is observed first at 308 nm as a minor decay mode and becomes the exclusive decay at 248 nm. The dissociation energy for the formation of CF2I+I(2P3/2) was determined to be D0I≤51.3±2 kcal/mol; in the case of the reaction forming CF2+I(2P3/2)+I(2P3/2) the dissociation energy is D0I+D0II≤63.3±2 kcal/mol.

  DOI：

  10.1063/1.464233

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D2, 4.2.4.4.5, page 319 - 320
  作者：

  DOI：——

  日期：——
• Leipunskii, I. O.; Morozov, I. I.; Tal'roze, V. L., Doklady Akademii nauk SSSR, 1971, vol. 198, p. 547 - 550
  作者：Leipunskii, I. O.、Morozov, I. I.、Tal'roze, V. L.

  DOI：——

  日期：——