| 913847-42-4

• CAS: 913847-42-4
• 化学式: H₂O*HO
• 分子量: 36.0147
• InChiKey: JEGUKCSWCFPDGT-DYCDLGHISA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.0
• 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：
  61.5
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  、 氘 以 gas 为溶剂， 生成
  参考文献：
  名称：

  Effects of hydration on reactions of oxide hydrate [O-(H2O)n (n = 0-2)]. 2. Reactions with hydrogen and deuterium

  摘要：

  The rate constants for the reactions of O-(H2O)n (n = 0-2) with H2 and D2 have been measured as a function of temperature. In addition, the dependences of the rate constants on average center-of-mass kinetic energy () and the branching ratios for n = 0 have been measured at several temperatures. For n = 0, the reactions with H2 and D2 are 48% and 50% efficient, respectively, and depend only weakly on temperature and . Both associative detachment and a channel that produces OH- are observed. The minor ( < 15%) OH- channel becomes more important at higher temperatures and . One H2O ligand reduces the rate constants on the order of a factor of 50. The reaction pathways for n = 1 are approximately 90% associative detachment and 10% production of OH-(H2O). The rate constants for n = 1 are found to increase with increasing temperature. The second H2O ligand reduces the rates to below our detectable limit. No dependence on rotational energy was found in either the rate constant or the branching ratio for n = 0.

  DOI：

  10.1021/j100162a039