Argon hydrogen bromide | 62972-95-6

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 卤代有机物
• 英文名称: Argon hydrogen bromide
• 英文别名: argon;hydrobromide
• CAS: 62972-95-6
• 化学式: Ar*BrH
• 分子量: 120.86
• InChiKey: YADDYKXZVNQFBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.58
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  1
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  氩 、 氢溴酸 以 neat (no solvent) 为溶剂， 生成 Argon hydrogen bromide
  参考文献：
  名称：

  Rotational spectra and molecular structures of ArHBr and KrHBr

  摘要：

  Rotational spectra have been observed for four isotopes of ArHBr and ArDBr and eight isotopes of KrHBr and KrDBr using a Fabry–Perot Fourier transform spectrometer with a pulsed supersonic nozzle as the molecular source. The rotational constants in the ground vibrational state ?0 with their centrifugal distortions DJ, as well as Br nuclear quadrupole coupling constants χa, are given. In addition, an important centrifugal distortion of the Br quadrupole coupling constant, Dχ, an indicator of the coupling between the radial and angular potentials, is given for ArHBr and KrHBr. The Br spin–rotation interaction c in ArHBr is also obtained. The results are: The molecular structures are consistent with a linear equilibrium geometry with the H(D) atom located between Br and the rare gas atoms. The complexes undergo large amplitude vibrations and estimates of the bending and stretching force constants and frequencies are given. By combining the bending, stretching, and their coupling, we have obtained the harmonic bending and stretching force constants (ks1 and kb1) and 6/12 Lennard-Jones potential parameters (ε and Re) for ArHCl, KrHCl, ArHBr, KrHBr.

  DOI：

  10.1063/1.439510

文献信息

• Rotational spectra and molecular structures of ArHBr and KrHBr
  作者：M. R. Keenan、E. J. Campbell、T. J. Balle、L. W. Buxton、T. K. Minton、P. D. Soper、W. H. Flygare

  DOI：10.1063/1.439510

  日期：1980.3

  Rotational spectra have been observed for four isotopes of ArHBr and ArDBr and eight isotopes of KrHBr and KrDBr using a Fabry–Perot Fourier transform spectrometer with a pulsed supersonic nozzle as the molecular source. The rotational constants in the ground vibrational state ?0 with their centrifugal distortions DJ, as well as Br nuclear quadrupole coupling constants χa, are given. In addition, an important centrifugal distortion of the Br quadrupole coupling constant, Dχ, an indicator of the coupling between the radial and angular potentials, is given for ArHBr and KrHBr. The Br spin–rotation interaction c in ArHBr is also obtained. The results are: The molecular structures are consistent with a linear equilibrium geometry with the H(D) atom located between Br and the rare gas atoms. The complexes undergo large amplitude vibrations and estimates of the bending and stretching force constants and frequencies are given. By combining the bending, stretching, and their coupling, we have obtained the harmonic bending and stretching force constants (ks1 and kb1) and 6/12 Lennard-Jones potential parameters (ε and Re) for ArHCl, KrHCl, ArHBr, KrHBr.