neon-OCS van der Waals complex | 161297-33-2

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: neon-OCS van der Waals complex
• CAS: 161297-33-2
• 化学式: COS*Ne
• 分子量: 80.2554
• InChiKey: VFWHGPNNKZUSEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.25
• 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：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  羰基硫 、 氖气 以 neat (no solvent, gas phase) 为溶剂， 生成 neon-OCS van der Waals complex
  参考文献：
  名称：

  稀有气体-OCS配合物的分子束红外吸收研究

  摘要：

  对于氖解决振动旋转光谱·OCS中，Ar·OCS和氪·在νOCS 3单体已经通过脉冲分子束的吸收光谱得到的OCS的区域。确定了上下振动状态的旋转常数和谱带起源，并计算了这些分子的有效结构。

  DOI：

  10.1016/0009-2614(85)85256-8

文献信息

• Infrared absorption and microwave–infrared double resonance studies of Ne⋅OCS molecular beams
  作者：Garry D. Hayman、Jeremy Hodge、Brian J. Howard、John S. Muenter、Thomas R. Dyke

  DOI：10.1063/1.452758

  日期：1987.2.15

  Infrared absorption spectra for molecular beams of Ne⋅OCS have been observed with a diode laser for the vibrational transition near 2062 cm−1 correlating with the monomer ν3 mode. The linewidths were ∼150 MHz (FWHM), giving rotationally resolved spectra and allowing the upper and lower vibrational state A, B, and C rotational constants to be determined along with the frequency of the band origin. No broadening in excess of that expected from Doppler effects and laser linewidth was observed, setting a lower limit of 10−9 s on the lifetime of the upper state. Rotational transitions for the vibrational ground state were observed by microwave–infrared double resonance experiments. The ∼150 kHz linewidths in these experiments increased the precision of the rotational constants and permitted the quartic centrifugal distortion constants for the ground state to be determined. The effective structure of the Ne⋅OCS complex was calculated from the rotational constant data. The vibrational frequency and structural results are discussed in relation to similar work on other rare gas–OCS complexes.