methanol compound with argon (1:1) | 194671-15-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: methanol compound with argon (1:1)
• CAS: 194671-15-3
• 化学式: Ar*CHO
• 分子量: 68.9663
• InChiKey: URICUIDICQVXBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.09
• 重原子数：
  3.0
• 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：
  19.9
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  氩 、 乙醛 以 gaseous matrix 为溶剂， 生成 methanol compound with argon (1:1)
  参考文献：
  名称：

  Fluorescence excitation spectroscopy of the Ar–HCO(X̃ 2A′,B̃ 2A′) van der Waals complex

  摘要：

  The fluorescence excitation spectrum of the Ar–HCO van der Waals complex in the vicinity of the B̃ 2A′–X̃ 2A′ 000 band of free HCO is reported. At least eight bands associated with the complex have been detected. From the spectral shift of the lowest energy Ar–HCO band from the origin of the free HCO transition, we estimate the Ar–HCO binding energy in the excited electronic state to be at least 13 cm−1 greater than that in the ground state. Rotational analysis of some of the bands has been carried out, and average Ar–HCO separations (∼3.7 Å) in both electronic states determined. Several of the bands were assigned as hot bands from the first excited bend–stretch level (K″=1) in the ground electronic state. From the derived A rotational constants, we conclude that the ArCO framework has an approximately T-shaped geometry in both electronic states. The decay lifetime of the upper state of the strongest Ar–HCO band was measured and was found to be somewhat smaller than those previously measured for low rotational levels of free HCO. With the high signal-to-noise ratio in this study, it was also possible to observe transitions in the free H13CO isotopomer. A rotational analysis of the B̃ 2A′–X̃ 2A′ 000 band of the H13CO isotopomer was carried out. The isotopic shifts of the origins of the 301 and 201 bands were also measured, and a normal mode analysis of HCO(B̃) was carried out.

  DOI：

  10.1063/1.474469