4.7 Article

Electric quadrupole transitions in carbon dioxide

期刊

JOURNAL OF CHEMICAL PHYSICS
卷 154, 期 21, 页码 -

出版社

AMER INST PHYSICS
DOI: 10.1063/5.0053279

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资金

  1. STFC [ST/R000476/1, ST/R00689X/1]
  2. ERC [883830]
  3. BEIS capital funding via STFC capital [ST/P002307/1, ST/R002452/1]
  4. Deutsche Forschungsgemeinschaft (DFG) through the Cluster of Excellence Advanced Imaging of Matter (AIM) [EXC 2056, 390715994]
  5. Deutsches Elektronen-Synchrotron DESY, a member of the Helmholtz Association (HGF)
  6. European Research Council (ERC) [883830] Funding Source: European Research Council (ERC)

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Recent advances in high sensitivity spectroscopy have allowed the observation of very weak electric quadrupole transitions in water molecules for the first time. The accurate theoretical predictions of the quadrupole rovibrational spectrum of the non-polar molecule CO2 are important for atmospheric and astrophysical applications, and have been validated by recent measurements.
Recent advances in high sensitivity spectroscopy have made it possible, in combination with accurate theoretical predictions, to observe, for the first time, very weak electric quadrupole transitions in a polar polyatomic molecule of water. Here, we present accurate theoretical predictions of the complete quadrupole rovibrational spectrum of a non-polar molecule CO2, important in atmospheric and astrophysical applications. Our predictions are validated by recent cavity enhanced absorption spectroscopy measurements and are used to assign few weak features in the recent ExoMars Atmospheric Chemistry Suite mid-infrared spectroscopic observations of the Martian atmosphere. Predicted quadrupole transitions appear in some of the mid-infrared CO2 and water vapor transparency regions, making them important for detection and characterization of the minor absorbers in water- and CO2-rich environments, such as those present in the atmospheres of Earth, Venus, and Mars.

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