| 138295-77-9

• CAS: 138295-77-9
• 化学式: NO*O₂
• 分子量: 62.0049
• InChiKey: BQKIJJOWYVDDCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.38
• 重原子数：
  4.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76.34
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  氧气 、 氧化亚氮 以 neat (no solvent, gas phase) 为溶剂， 生成
  参考文献：
  名称：

  Cluster ions: Gas‐phase stabilities of NO⁺(O₂)_n and NO⁺(CO₂)_n with n=1–5

  摘要：

  Thermodynamic stabilities of cluster ions NO+(O2)n and NO+(CO2)n with n=1–5 were determined with a pulsed electron beam mass spectrometer. The measured binding energies of NO+(O2)n were found to be considerably smaller than those of NO+(N2)n, i.e., the solvating power of O2 toward NO+ is weaker than that of N2. For both NO+(O2)n and NO+(CO2)n, the cluster ions with n=3 were found to be relatively more stable toward dissociation. The experimental energies of NO+(CO2)n agree well with ab initio ones and are much larger than those of NO+(N2)n and NO+(O2)n. Structural difference between NO+(N2)n and NO+(CO2)n is also discussed. It is postulated that not NO+(O2) but NO+(CO2) is the key intermediate for conversion of NO+ to the hydronium series ions in the D region of the Earth’s atmosphere.

  DOI：

  10.1063/1.461518