| 215365-34-7

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• CAS: 215365-34-7
• 化学式: CO₂*C₂H₂
• 分子量: 70.0477
• InChiKey: LZIMEXXFGKUVNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.33
• 重原子数：
  5
• 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：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  二氧化碳 、 乙炔 以 neat (no solvent, gas phase) 为溶剂， 生成
  参考文献：
  名称：

  Vibration–rotation spectrum of the carbon dioxide–acetylene van der Waals complex in the 3 μ region

  摘要：

  The infrared absorption spectrum of the carbon dioxide–acetylene van der Waals complex has been observed in a pulsed molecular beam. A color center laser was used to excite the vibration associated with the antisymmetric hydrogen stretching mode of the acetylene monomer. The vibrational origin is 3281.740 cm−1 and the rotational constants are A″=8876, B″=2859, C″=2155, A′=8864, B′=2855, and C′=2154 MHz. The axes of the two monomer are parallel to one another and the complex has C2v symmetry. The separation of the monomer units is 3.285 Å. The angular part of the intermolecular potential function is discussed in terms of electrostatic interactions between distributed multipole moments.

  DOI：

  10.1063/1.455175