carbon dioxide argon | 75382-96-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: carbon dioxide argon
• CAS: 75382-96-6
• 化学式: Ar*CO₂
• 分子量: 83.9578
• InChiKey: AAEGEOXHMYAZAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.58
• 重原子数：
  4
• 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 、 氩 以 gaseous matrix 为溶剂， 生成 carbon dioxide argon
  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

文献信息

• Fenn, John B., Journal of Chemical Physics, 1981, vol. 75, p. 5355 - 5361
  作者：Fenn, John B.

  DOI：——

  日期：——
• Optothermal‐infrared and pulsed‐nozzle Fourier‐transform microwave spectroscopy of rare gas–CO₂complexes
  作者：G. T. Fraser、A. S. Pine、R. D. Suenram

  DOI：10.1063/1.454454

  日期：1988.5.15

  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.
• The vibrational predissociation of Ar–CO₂at the state‐to‐state level. I. Vibrational propensity rules
  作者：E. J. Bohac、Mark D. Marshall、R. E. Miller

  DOI：10.1063/1.463951

  日期：1992.10

  A modified version of the optothermal technique has been used to measure photofragment angular distributions resulting from the vibrational predissociation of Ar–CO2 from both members of the (1001)/(0201) Fermi diad. These angular distributions show resolvable structure which can be assigned to individual final states of the resulting fragments. The emphasis of the present paper is on the role of the vibrational degrees of freedom of the CO2 fragment as depositories for the excess energy. The dissociation energy (D0) of the complex has been determined to be 166±1 cm−1. This result is used in conjunction with the spectroscopic data already available in the literature to refine two previously reported two-dimensional Ar–CO2 potential energy surfaces.