deuteriomethyliumdiyl | 31344-09-9

• 英文名称: deuteriomethyliumdiyl
• 英文别名: deuteriocarbenylium
• CAS: 31344-09-9
• 化学式: CH
• 分子量: 14.011
• InChiKey: WVVLBIYUCXYYEU-MICDWDOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 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：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  deuterium cation 、 甲烷 生成 deuteriomethyliumdiyl
  参考文献：
  名称：

  The dynamics of the reaction D⁺₂+C→CD⁺+D at kinetic energies between 0.002 and 14 eV

  摘要：

  Absolute total reaction cross sections and product kinetic energy distributions have been measured for the reaction D+2+C→CD++D over the range of initial kinetic energies between 0.002 and 14 eV. At very low collision energies, the reaction cross section is accurately proportional to the capture cross section calculated for Π approaches of the reactants, taking into account the long-range charge-quadrupole and charge-induced dipole interactions. About 37% of close collisions on Π surfaces lead to CD++D reaction products. Reactions on Σ surfaces are inhibited at low kinetic energies by a strongly repulsive charge-quadrupole interaction at large separations. The reaction is direct at all kinetic energies, with the CD+ product scattered preferentially in the direction of the incident C atom. The reaction is extremely exoergic, and the CD+ product is formed with an internal energy very near its dissociation limit over a large range of collision energies. Although the experimental results do not give direct information on the electronic state pathways to the observed products (except that the reactants approach asymptotically on Π surfaces), the electronic state correlations suggest a low-energy adiabatic pathway to the CH+ (3Π) first excited state of the products, which is consistent with both the measured values of the reaction cross sections and the reaction energetics.

  DOI：

  10.1063/1.444973

文献信息

• Bond-Forming Reactions of Gas-Phase Molecular Dications
  作者：Stephen D. Price、Michelle Manning、Stephen R. Leone

  DOI：10.1021/ja00098a030

  日期：1994.9

  We observe a series of novel reactions involving the formation of chemical bonds in a comprehensive study of the reactivity of eight dications, CF2+, CF22+, CF32+, SF42+, SF32+, SF22+, CO22+, and OCS2+, with the neutral collision partners Xe, D-2, O-2, N-2, NO, and CO. The reactions are detected in a crossed beam apparatus at laboratory-frame collision energies between 30 and 50 eV. The mass-selected dication beam interacts with a pulsed beam of the neutral reactant in a collision region and the ionic products are monitored by a time-of-flight mass spectrometer. The major reactions for each system are charge transfer processes. However, reactions involving the formation of new chemical bonds contribute significantly to the ion yield (1-20%) for several of the collision systems studied. Two classes of bond-forming reactions are observed, one involving negative ion transfer to the dication and the other involving positive ion transfer from the dication to the neutral reactant. An example of the former is the production of DCF2+ from the reaction between CF22+ and D-2; an example of the latter is the production of XeF+ from the reaction between CF22+ and Xe. Estimates of the appropriate curve-crossing radii for the negative ion transfer reactions give values consistent with a Landau-Zener curve-crossing mechanism. Charge transfer products and collision-induced neutral loss channels are also reported in this study.