argon deuteride | 30736-05-1

• 分子结构分类: 有机化合物
• 英文名称: argon deuteride
• CAS: 30736-05-1
• 化学式: ArH
• 分子量: 41.948
• InChiKey: MELHOWQWHBXJEZ-MICDWDOJSA-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：

  氩 、 氘 以 neat (no solvent, gas phase) 为溶剂， 生成 argon deuteride
  参考文献：
  名称：

  New Rydberg–Rydberg transitions of the ArH and ArD molecules. I. Emission from np states of ArD

  摘要：

  The ground electronic state of argon hydride has a repulsive potential apart from a long-range van der Waals minimum, but the Rydberg excited states have bound potentials similar to those of the ion ArH+. These states can be described approximately in terms of united-atom quantum numbers nl. We report here rotational analyses of the bands 5p→5s, 5p→6s, and 6p→5s of ArD, which help to further characterize the np Rydberg series. In ArH the bands 5p→5s and 6p→5s have broad lines because of predissociation in the lower state, and 5p→6s is difficult to analyze without further information. The present data are fitted with a Hund’s case (d) effective Hamiltonian. In previous work the 4p state was found to have a very small σ-π splitting, but this does not hold for the higher np states, and is probably due to an accidental cancellation between electrostatic and polarizability contributions. On the other hand, the spin–orbit coupling decreases monotonically with n. Features of the rotational levels are discussed in terms of the high-J limiting quantum numbers lJ=N−R and sJ=J−N, where R≡N+, in particular the effect of spin–orbit coupling on the levels with (lJ,sJ)=(−1,1/2) and (0,−1/2), which produces a tendency to Hund’s case e behavior in 4p, and a sharp avoided crossing in 6p. The corresponding avoided crossing in 5p would occur beyond the present range of observed J values.

  DOI：

  10.1063/1.471578

文献信息

• Neutralized ion‐beam studies of the rare gas hydrides: Observation of unique metastability for NeH
  作者：Susan F. Selgren、David E. Hipp、Gregory I. Gellene

  DOI：10.1063/1.453955

  日期：1988.3

  The rare gas hydride radicals have been produced by charge exchange of the corresponding ion in a mass selected, high velocity beam with K, Na, Mg, Zn, or Hg target metals. NeH shows unique behavior, being produced in both dissociative and long-lived (>5.0 μs) metastable states. Arguments based on energetic considerations are presented that the observed metastability should be associated with the ground state of the NeH radical, requiring that it have a shallow well and dissociation barrier analogous to those previously determined for the ground states of the isoelectronic NH4, H3O, and H2F radicals. The existence of a structured radiative transition near 6.1 eV is predicted for the NeH radical. The other rare gas hydrides exhibit only dissociation of the radical with the kinetic energy released explainable in terms of production of known electronic states of the radicals by near resonant electron transfer. For HeH and ArH the first excited electronic state (A 2Σ+) is observed to efficiently predissociate into the repulsive ground state, whereas for KrH and XeH, lower limits of 4.5 and 3.9 eV, respectively, are determined for the energies of the corresponding excited states with respect to the separated ground state atoms.