| 12200-65-6

• CAS: 12200-65-6
• 化学式: HNe
• 分子量: 21.1869
• InChiKey: QJGKDYDFCAGVLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.27
• 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：

  盐酸 、 氖气 以 gas 为溶剂， 生成
  参考文献：
  名称：

  The dynamics of hydroneon(1+) production in neon*(3P2,0)-hydrogen chloride collisional autoionization

  摘要：

  The ionization of HCl molecules by thermal energy collisions with metastable Ne* atoms has been studied experimentally and theoretically. The integral elastic cross sections have been measured and analyzed, together with the total ionization cross sections, to obtain an optical potential able to describe the collision dynamics of the neutral reactants. The relative cross sections for NeH+ and NeD+ production in Ne*-HCl or DCl have been measured as a function of the collision energy. A theoretical calculation of the potential energy for the reactive Ne + HCl+(A) --> NeH+ + Cl system has been performed by SCF, Cl, and CASSCF methods. The dynamics of NeH+ production is described by two theoretical models. The first one simply couples the semiclassical treatment of Penning ionization with the Langevin criterion for the postionization ion-molecule reaction. The second model also assumes the statistical phase space theory to describe the partitioning of the Ne...HCl+(A) ionic complex among the possible final products.

  DOI：

  10.1021/j100148a007

文献信息

• Rotational spectroscopy of molecular ions using diode lasers
  作者：Di‐Jia Liu、Wing‐Cheung Ho、Takeshi Oka

  DOI：10.1063/1.453084

  日期：1987.9

  We report here the first application of tunable diode lasers to study the pure rotational spectroscopy of molecular ions. High J rotational transitions of molecular cations ArH+, NeH+, HeH+, OH+, H2O+, and anion OH− have been observed.
• New rotation–vibration band and potential energy function of NeH+ in the ground electronic state
  作者：S. Civiš、J. Šebera、V. Špirko、J. Fišer、W.P. Kraemer、K. Kawaguchi

  DOI：10.1016/j.molstruc.2003.11.041

  日期：2004.6

  The Fourier transform emission spectrum of (NeH+)-Ne-20 in its (1)Sigma(+) ground electronic state was observed in the infrared spectral region at an apodized resolution of 0.02 cm(-1). The wavenumbers of the observed lines were assigned and fitted within the framework of the Dunham expansion and reduced potential curve (RPC) methods making use of ab initio potentials calculated to high accuracy. Of the total of 122 lines observed, 40 lines are newly assigned, including the new 4 --> 3 vibrational band. The global potential energy function arising from the RPC analysis provides a very close description of the mobility data for H+ and D+ ions in Ne gas and of the long-range induction interaction data thus indicating high reliability of its predictive power. (C) 2003 Elsevier B.V. All rights reserved.