argon-H3(1+) complex | 81814-59-7

• 英文名称: argon-H3(1+) complex
• CAS: 81814-59-7
• 化学式: ArH₃
• 分子量: 42.9718
• InChiKey: GVKJOGXAQPDXQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 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

• 作为反应物：
  描述：

  argon-H3(1+) complex 、 水 以 gaseous matrix 为溶剂， 生成 oxonium
  参考文献：
  名称：

  Interaction between the ion dipole and the ion‐induced dipole in reactions of the polar ion ArH⁺₃

  摘要：

  The reactions of the highly polar ion ArH+3 with the nonpolar neutrals Xe, Kr, CH4, CO, NO, O2, and N2 and with the polar neutrals SO2, H2O, NH3, CH3I, and C2H5I have been investigated in a selected ion flow drift tube experiment at near thermal conditions. The rate coefficients obtained have typically 15%–35% larger values than the collisional limiting values kL and kADO obtained by the Langevin and ADO (average dipole orientation) theory, respectively. These data are explained on the basis of the interaction between the dipole of ArH+3 and the ion-induced dipole and the permanent dipole, respectively, of the neutral reactants. Rate coefficients for the reactions of H+3 with the above neutrals were also obtained for comparison, as well as the zero field mobility of ArH+3 in helium being (18.5±1.5) cm2/V s. The ion KrD+3 (KrH+3) was detected unambiguously for the first time. Its dissociation energy is larger than 0.29 eV which is the lower limit of the dissociation energy of ArH+3.

  DOI：

  10.1063/1.466691
• 作为产物：
  描述：

  氩 、 氢气 以 neat (no solvent, gas phase) 为溶剂， 生成 argon-H3(1+) complex
  参考文献：
  名称：

  Tunneling motion in ArH⁺₃ and isotopomers from the analysis of their rotational spectra

  摘要：

  The millimeter and submillimeter wave spectra of different H/D isotopomers of ArH+3 were investigated. The ionic clusters were produced inside a negative glow extended by a magnetic field, in Ar/H2/D2 mixtures. Most of the observed rotational lines were split by internal motion and spin statistical weights as well as intensity ratios for the components were determined from symmetry considerations. The splittings were interpreted in terms of internal motion of the H+3 triangle. In a first step, the usual rigid top-rigid frame model was used to reproduce the order of magnitude of the splittings. In a second step, a more refined model, which accounts for the flexibility of the top and the frame, led to a better calculation of the observed splittings in ArH+3 and ArD+3.

  DOI：

  10.1063/1.453819

文献信息

• Some reactions of the highly polar ion ArH+3
  作者：David Smith、Patrik Spanel、David K. Bedford

  DOI：10.1016/0009-2614(92)85593-y

  日期：1992.4

  the reactions of the ion ArH+3 with Co, CH4, N2 and O2 have been measured at 80 K in a SIFT apparatus. The measured rate coefficients, k, are seen to exceed the collisional rate coefficients, kc, as calculated using the Langevin theory for reactions involving non-polar neutral reactants. That k⪢kc is tentatively attributed to the influence of the large permanent dipole moment of the ArH+3 ion.

  已经在SIFT设备中在80K下测量了离子ArH + 3与Co，CH 4，N 2和O 2的反应的速率系数。可以看出，测得的速率系数k超过了碰撞速率系数k c，该碰撞速率系数k c是使用Langevin理论计算的，涉及非极性中性反应物的反应。也就是说ķ ⪢ ķ Ç暂定归因于ARH的大永久偶极矩的影响+ 3离子。