ammonium-d3 | 34882-05-8

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 英文名称: ammonium-d3
• CAS: 34882-05-8
• 化学式: H₃N
• 分子量: 20.0067
• InChiKey: FXDYOSCCLBVICI-FIBGUPNXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.31
• 重原子数：
  1.0
• 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：
  35.0
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  ammonium-d3 、 乙烯 以 gaseous matrix 为溶剂， 生成
  参考文献：
  名称：

  NH + n和ND + n（n = 0–4）与C 2 H 4和C 2 D 4在300 K下的反应

  摘要：

  给出了同时具有C 2 H 4和C 2 D 4的NH + n和ND + n（n = 0-4）的速率系数和产物离子分布。使用氘代物质可以明确确定每种产物离子类型的分数。数据还证明了该技术如何用于获得有关相对复杂的离子/分子反应机理的信息。

  DOI：

  10.1016/0009-2614(80)80639-7
• 作为产物：
  描述：

  ammonia cation 、 氨-d3 生成 ammonium-D1 、 ammonium-d3 、
  参考文献：
  名称：

  State selected ion–molecule reactions by a coincidence technique. XV. Hydrogen atom abstraction as an electron jump followed by proton transfer in the ND⁺₃ (v)+NH₃ and NH⁺₃ (v)+ND₃ reactions

  摘要：

  The effects of the vibrational excitation of the ν2 mode of ND+3 (v) and NH+3 (v) on the three channels of their reaction with NH3 and ND3 , respectively, are investigated up to v=12 in the center-of-mass kinetic energy range from 0.9 to 4.5 eV by use of the TESICO technique. The ratio (γ) of the hydrogen/deuterium atom abstraction cross section over the competing deuteron/proton transfer cross section has a maximum systematically at a vibrational level (vmax ) slightly higher than that giving maximum Franck–Condon factor (vFC ) for the neutralization of ND+3 (v)/NH+3 (v). A new reaction model based on a nonadiabatic transition theory and the potential energy surface calculated for the ammonia dimer cation is proposed to explain the experimental results. The hydrogen/deuterium atom abstraction reaction is interpreted as a near resonant electron jump at larger intermolecular separation followed by proton/deuteron transfer which proceeds on the ‘‘electron (charge)–transferred’’ potential surface.

  DOI：

  10.1063/1.455307

文献信息

• Reactions of N⁺(³<i>P</i>) ions with normal, para, and deuterated hydrogens at low temperatures
  作者：J. B. Marquette、C. Rebrion、B. R. Rowe

  DOI：10.1063/1.455101

  日期：1988.8.15

  The reactions of N+(3P) ions with normal, para, and deuterated hydrogens have been examined at temperatures below 163 K by using the CRESU technique with both helium and nitrogen buffer gases. All these reactions have decreasing rate coefficients with decreasing temperature. Comparison of the data for normal and para-H2 reveals the drastic importance of rotational energy in promoting these processes. Analysis of these results shows a better agreement between the n-H2, p-H2, and HD data if the spin–orbit energy of N+(3P) is also considered as efficient as kinetic and rotational energies in driving the reactions. It follows that the endothermicity of the reaction N+(3P0) +H2(X 1Σ+g,J=0) →NH+(X 2Π,J=0) +H(2S) is (18±2) meV. This yields a proton affinity of N equal to (3.524±0.003) eV and a dissociation energy of NH of (3.42±0.01) eV.