magnesium hydride | 14332-53-7

• 英文名称: magnesium hydride
• 英文别名: magnesium monohydride
• CAS: 14332-53-7
• 化学式: HMg
• 分子量: 25.3129
• InChiKey: RZCHRULKKYOSQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.65
• 重原子数：
  1
• 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：
  0

反应信息

• 作为产物：
  描述：

  氢气 、 magnesium 生成 magnesium hydride
  参考文献：
  名称：

  The temperature dependence of the quenching of Mg(³P_J) by H₂ and D₂: Endoergic chemical reaction as rate limiting

  摘要：

  The rate constants for the inefficient quenching of Mg(3s3p 3PJ) by H2 and D2 have been shown to increase sharply with temperature in the 600–800 K range. The quenching rate is controlled by the following endoergic chemical reactions: Mg(3PJ) +H2 → MgH+H, ΔE00=+11.3 kcal/mol, Mg(3PJ)+D2 → MgD+D, ΔE00=+12.8 kcal/mol. A statistical fit of the data to a simple kinetic model shows furthermore that the chemical reactions proceed with no activation barrier beyond the endoergicities, and that E to V, R quenching by H2 and D2 is extremely inefficient. These conclusions are consistent with ab initio calculations of the excited- and ground-state MgH2 potential surfaces. It is also shown that vibrational energy of D2 is not the sole requirement for efficient reaction with Mg(3PJ) and it is proposed that vibrational and translational activation may be comparably efficient for these reactions.

  DOI：

  10.1063/1.444395

文献信息

• Temperature dependence of the quenching of Mg(³<i>P</i>_<i>J</i>) by H₂: Evidence for a change from physical to chemical exit‐channel control
  作者：W. H. Breckenridge、W. L. Nikolai

  DOI：10.1063/1.440443

  日期：1980.9.15

  The rate constant for the quenching of Mg(3s3p 3PJ) by H2 increases sharply with temperature in the 612–841 °K range. A simple equation is shown to fit this data as well as a rate-constant value reported by Taieb and Broida at lower temperature: This two-term expression results from the assumption that inefficient E to V, R energy transfer occurs in competition with a chemical exit channel in which there is no activation barrier beyond the 11.5 kcal/mole endothermicity of the reaction: Mg(3PJ)+H2→MgH+H. A transfer therefore occurs from physical to chemical exit-channel control in this unusual case as the temperature is increased.