| 192197-81-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 192197-81-2
• 化学式: CO₂*Kr
• 分子量: 127.81
• InChiKey: SAWMBALHUHLRLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.58
• 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：

  二氧化碳 、 氪气 以 gaseous matrix 为溶剂， 生成
  参考文献：
  名称：

  Optothermal‐infrared and pulsed‐nozzle Fourier‐transform microwave spectroscopy of rare gas–CO₂complexes

  摘要：

  Sub-Doppler infrared spectra of Ne–CO2, Ar–CO2, and Kr–CO2 have been recorded near 3613 and 3715 cm−1, in the region of the 2ν02+ν3/ν1+ν3 Fermi diad of CO2, using an optothermal molecular-beam color-center laser spectrometer. In addition, pulsed-nozzle Fourier-transform microwave spectra are reported for the ground vibrational states of the complexes. The infrared and microwave spectra are consistent with T-shaped complexes as shown originally by Steed, Dixon, and Klemperer for Ar–CO2.1 The infrared band origins for the Ar and Kr complexes are red shifted, from that of free CO2, by 1.09 and 0.95 cm−1 for Ar–CO2 and by 1.97 and 1.76 cm−1 for 84Kr–CO2. For Ne–CO2, blue shifts of 0.15 and 0.19 cm−1 are observed. The lower Fermi components are free of perturbations, whereas the upper components of Ar–CO2 and Kr–CO2 are perturbed. For Ar–CO2 the perturbation is strong, shifting the positions of the observed Q-branch lines of the Ka =1←0 subband by as much as 500 MHz.

  DOI：

  10.1063/1.454454