Yachmenev Andrey, Campargue Alain, Yurchenko Sergei N, Küpper Jochen, Tennyson Jonathan
Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany.
Univ. Grenoble Alpes, CNRS, LIPhy, 38000 Grenoble, France.
J Chem Phys. 2021 Jun 7;154(21):211104. doi: 10.1063/5.0053279.
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 CO, 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 CO and water vapor transparency regions, making them important for detection and characterization of the minor absorbers in water- and CO-rich environments, such as those present in the atmospheres of Earth, Venus, and Mars.
