carbon monoxide, carbon dioxide | 139167-40-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: carbon monoxide, carbon dioxide
• CAS: 139167-40-1
• 化学式: CO*CO₂
• 分子量: 72.0202
• InChiKey: XXLDWSKFRBJLMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.62
• 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：
  35.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  二氧化碳 、 一氧化碳 以 gaseous matrix 为溶剂， 生成 carbon monoxide, carbon dioxide
  参考文献：
  名称：

  CO·CO 2 van der Waals分子的高分辨率红外光谱

  摘要：

  我们报告了CO·CO 2 van der Waals分子在CO基本拉伸振动区域中的红外吸收光谱。通过同时将观察到的光谱与先前观察到的微波光谱拟合，我们已经确定了上态光谱常数。这些给定为ν ö = 2148.241 44（14）厘米-1，Δ ν ö = 4.970 28（14）厘米-1，甲'= 11 869.4（1.6）兆赫，乙'= 1874.68（40）MHz和Ç′= 1608.77（24）兆赫。使用包括静电多极和色散相互作用的模型，我们构建了各种结构的电势。发现实验观察到的结构更稳定。

  DOI：

  10.1039/ft9908601943

文献信息

• Infrared diode‐laser spectroscopy and Fourier‐transform microwave spectroscopy of the (CO₂,CO) dimer in a pulsed jet
  作者：A. C. Legon、A. P. Suckley

  DOI：10.1063/1.456780

  日期：1989.10.15

  Two techniques have been used to observe the spectrum of a weakly bound dimer (CO2, CO) formed in a pulsed jet of CO2 and CO seeded in argon. The v=1←0 vibrational transition in the modified asymmetric stretching mode of the CO2 subunit was first observed at Doppler-limited resolution by investigating the pulsed jet with an infrared diode-laser spectrometer. Then the ground-state pure rotational spectrum was detected by applying Fourier-transform microwave spectroscopy to such a jet. A combined fit of the two spectra of the parent isotopomer gave the following set of ground-state (v=0) and excited-state (v=1) spectroscopic constants: A0=11 863.48(56) MHz, B0=1883.915(4) MHz, C0=1613.297(4) MHz, A1=11 772.17(37) MHz, B1=1882.76(6) MHz, C1=1611.44(5) MHz, ΔJ =8.145(2) kHz, ΔJK =339.42(1) kHz, δJ =1.26(1) kHz, and δK =309.8(4) kHz when the centrifugal distortion constants were constrained to be equal in both states. Spectroscopic constants for the isotopomers (CO2, 13CO) and (CO2, C18O) have also been determined. The nature of the observed spectra, especially the systematic absences of certain transitions, and the magnitudes of the spectroscopic constants have been interpreted in favor of a dimer with a T-shaped geometry in which the CO molecule lies along the C2 axis of CO2, with the two C atoms contiguous and r0(C⋅⋅⋅C)=3.277 Å. The intermolecular stretching force constant has the small value kσ =2.7 N m−1.
• High-resolution infrared spectroscopy of the CO · CO₂van der Waals molecule
  作者：Robert W. Randall、Jason P. L. Summersgill、Brian J. Howard

  DOI：10.1039/ft9908601943

  日期：——

  We report the infrared absorption spectrum of the CO · CO2 van der Waals molecule in the region of the CO fundamental stretching vibration. By simultaneously fitting the observed spectrum with the previously observed microwave spectrum we have determined the upper-state spectroscopic constants. These are given as νo= 2148.241 44(14) cm–1, Δνo= 4.970 28(14) cm–1, A′= 11 869.4(1.6) MHz, B′= 1874.68(40)

  我们报告了CO·CO 2 van der Waals分子在CO基本拉伸振动区域中的红外吸收光谱。通过同时将观察到的光谱与先前观察到的微波光谱拟合，我们已经确定了上态光谱常数。这些给定为ν ö = 2148.241 44（14）厘米-1，Δ ν ö = 4.970 28（14）厘米-1，甲'= 11 869.4（1.6）兆赫，乙'= 1874.68（40）MHz和Ç′= 1608.77（24）兆赫。使用包括静电多极和色散相互作用的模型，我们构建了各种结构的电势。发现实验观察到的结构更稳定。