| 856605-00-0

• CAS: 856605-00-0
• 化学式: HO₂
• 分子量: 33.9988
• InChiKey: ODFUEKQFCZTHFJ-MICDWDOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.11
• 重原子数：
  2.0
• 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：
  41.3
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  、 氘 以 gaseous matrix 为溶剂， 生成 、 氧气
  参考文献：
  名称：

  近热中性反应的O进一步的研究2 ħ + + H 2 ⇌ħ 3 + + O 2

  摘要：

  用于反应中的正向和反向速率系数（1）O 2 H ^ + + H2⇌ħ 3 + + O 2和（2）O 2 d + + d 2 ⇌d 3 + + O 2已经在SIFT在已确定80和300 K，从中可以得到反应焓和熵的变化值。数据表明H 2的质子亲和力比O 2的质子亲和力大0.33±0.04 kcal摩尔-1 ; 类似地，D 2的氘代亲和力比O的氘代亲和力大0.35±0.04 kcal·mol -12。熵变的测量结果证实O 2 H +具有三重态电子基态。

  DOI：

  10.1016/0009-2614(84)85665-1
• 作为产物：
  描述：

  氧气 、 氘 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  近热中性反应的O进一步的研究2 ħ + + H 2 ⇌ħ 3 + + O 2

  摘要：

  用于反应中的正向和反向速率系数（1）O 2 H ^ + + H2⇌ħ 3 + + O 2和（2）O 2 d + + d 2 ⇌d 3 + + O 2已经在SIFT在已确定80和300 K，从中可以得到反应焓和熵的变化值。数据表明H 2的质子亲和力比O 2的质子亲和力大0.33±0.04 kcal摩尔-1 ; 类似地，D 2的氘代亲和力比O的氘代亲和力大0.35±0.04 kcal·mol -12。熵变的测量结果证实O 2 H +具有三重态电子基态。

  DOI：

  10.1016/0009-2614(84)85665-1

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: O: MVol.8, 39, page 2613 - 2616
  作者：

  DOI：——

  日期：——
• Reactions of Gaseous Molecule Ions with Gaseous Molecules. V. Theory
  作者：George Gioumousis、D. P. Stevenson

  DOI：10.1063/1.1744477

  日期：1958.8

  Ion-molecule reactions of the sort observed as secondary reactions in mass spectrometers have been treated by the methods of the modern kinetic theory; that is, the rate of reaction is expressed in terms of the velocity distribution functions of the reactants and the cross section for the reaction. The cross section, which is calculated by means of the properties of the classical collision orbits, is found to have an inverse square root dependence on energy. The ion distribution function, which is far from Maxwellian, is found by means of an explicit solution of the Boltzmann equation. A simple relation is given which relates the mass spectrometric data to the specific rate of the same reaction under thermal conditions. For the simpler molecules, this rate may be calculated completely a priori, with excellent agreement with experiment.
• Reactions of Gaseous Molecule Ions with Gaseous Molecules. IV. Experimental Method and Results
  作者：D. P. Stevenson、D. O. Schissler

  DOI：10.1063/1.1744476

  日期：1958.8

  This paper is concerned with a detailed description of quantitative studies of certain secondary reactions involving simple molecules and ions that occur in the ion source of a mass spectrometer. It is found that the phenomenological reaction cross sections for reactions of the type P++R→S++···are independent of the temperature of the gas in the ion source, and vary inversely with the square root of the product of the ion repeller field strength and the reduced mass of the reactant ion-reactant molecule pair. For the reactant ion (P+) a rare gas, hydrogen, nitrogen, or carbon monoxide, and the resultant molecule (R) hydrogen, the cross sections for formation of the secondary ion, S+=PH+, are found to be one or two orders of magnitude greater than the ordinary, kinetic theory collision cross sections for similar atoms and molecules.