nitrosodifluoramine | 14984-78-2

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 卤代有机物
• 英文名称: nitrosodifluoramine
• 英文别名: nitrogen oxide difluoride；Nitrosodifluoroamine；N,N-difluoronitrous amide
• CAS: 14984-78-2
• 化学式: F₂N₂O
• 分子量: 82.0096
• InChiKey: DKTSNLZDRQDHBO-UHFFFAOYSA-N

物化性质

• 密度：
  1.62±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 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：
  32.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  nitrosodifluoramine 以 neat (no solvent) 为溶剂， 生成 四氟代肼 、 氧化亚氮
  参考文献：
  名称：

  Nitrosodifluoroamine, F₂N₂O^,

  摘要：

  Nitrous oxide, N2O, was observed to react with F-2 under UV irradiation at -196 degrees C to form initially F2N2O which in accord with earlier reports from the literature decomposes above -140 degrees C to form N2F4 and NO. The apparently different reaction behavior of N2O toward H radicals (-->H2O + N-2) and F radicals (-->F2N2O --> N2F4 + NO) can be accounted for by thermodynamic considerations [average bond energies (kcal mol(-1)): O-H (114.2) > N-H (93.3); N-F (66.4) > O-F (44.7)]. A reaction mechanism for the formation and decomposition of F2N2O from N2O and F-2 (present study) and from N2F4 and NO has been suggested using valence bond considerations. The structure of F2N2O was fully optimized at the electron correlated MP2(FULL)/cc-pVTZ level of theory and was shown to possess C-1 symmetry. A frequency analysis clearly shows the C-1 structure to represent a true minimum (NIMAG = 0), whereas the earlier reported planar C-s structure was shown to represent a first-order transition state (NIMAG = 1).

  DOI：

  10.1021/jp994240g
• 作为产物：
  描述：

  四氟代肼 、 氧化亚氮 以 not given 为溶剂， 生成 nitrosodifluoramine
  参考文献：
  名称：

  Colburn, C. B.; Johnson, F. A., Inorganic Chemistry, 1962, vol. 1, p. 715 - 717

  摘要：

  DOI：

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: S: MVol.B3, 101, page 1747 - 1748
  作者：

  DOI：——

  日期：——
• Nitrosodifluoramine. II. The Gas Phase Equilibrium
  作者：Frederic A. Johnson、Charles B. Colburn

  DOI：10.1021/ic50005a007

  日期：1963.2
• Nitrosodifluoroamine, F₂N₂O^,
  作者：Margaret-Jane Crawford、Richard D. Harcourt、Thomas M. Klapötke

  DOI：10.1021/jp994240g

  日期：2000.4.1

  Nitrous oxide, N2O, was observed to react with F-2 under UV irradiation at -196 degrees C to form initially F2N2O which in accord with earlier reports from the literature decomposes above -140 degrees C to form N2F4 and NO. The apparently different reaction behavior of N2O toward H radicals (-->H2O + N-2) and F radicals (-->F2N2O --> N2F4 + NO) can be accounted for by thermodynamic considerations [average bond energies (kcal mol(-1)): O-H (114.2) > N-H (93.3); N-F (66.4) > O-F (44.7)]. A reaction mechanism for the formation and decomposition of F2N2O from N2O and F-2 (present study) and from N2F4 and NO has been suggested using valence bond considerations. The structure of F2N2O was fully optimized at the electron correlated MP2(FULL)/cc-pVTZ level of theory and was shown to possess C-1 symmetry. A frequency analysis clearly shows the C-1 structure to represent a true minimum (NIMAG = 0), whereas the earlier reported planar C-s structure was shown to represent a first-order transition state (NIMAG = 1).
• Colburn, C. B.; Johnson, F. A., Inorganic Chemistry, 1962, vol. 1, p. 715 - 717
  作者：Colburn, C. B.、Johnson, F. A.

  DOI：——

  日期：——