Sulfur Dioxide-Argon | 158557-27-8

• 英文名称: Sulfur Dioxide-Argon
• 英文别名: argon;sulfur dioxide
• CAS: 158557-27-8
• 化学式: Ar*O₂S
• 分子量: 104.013
• InChiKey: NHPJHVLHIALIBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.67
• 重原子数：
  4.0
• 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：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  二氧化硫 、 氩 以 neat (no solvent) 为溶剂， 生成 Sulfur Dioxide-Argon
  参考文献：
  名称：

  Structure, properties, and inversion of the Ar⋅SO₂ van der Waals molecule

  摘要：

  Microwave and radiofrequency spectra of the Ar⋅SO2 van der Waals molecule have been studied by molecular beam spectroscopy. The molecule has Cs point group symmetry and tunnels through a very low barrier at a C2v structure at a 980 MHz rate. The tunneling interchanges the two oxygen atoms which causes half of each inversion doublet to have zero statistical weight. The inversion frequency and assumptions about the bending vibration lead to a barrier height of ?10 cm−1. Stark effect measurements give μa=0.2674 D, μb=0.0 D, μc=1.465 D. These moments are interpreted in terms of a vibrational amplitude of 24° associated with the inversion coordinate. The geometry of the complex is essentially perpendicular with the Ar atom above the plane of SO2 and located almost directly over the SO2 center-of-mass at a 3.675 Å distance.

  DOI：

  10.1063/1.440424