Litcius/Paper detail

Electric quadrupole transitions in carbon dioxide

Andrey Yachmenev, Alain Campargue, Sergei N. Yurchenko, Jochen Küpper, Jonathan Tennyson

2021The Journal of Chemical Physics20 citationsDOIOpen Access PDF

Abstract

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.

Topics & Concepts

Rotational–vibrational spectroscopyQuadrupoleSpectroscopyAbsorption spectroscopyAtomic physicsMoleculePolyatomic ionChemistrySpectral lineAtmospheric chemistryAnalytical Chemistry (journal)Materials scienceAbsorption (acoustics)Trace gasPolarTriatomic moleculeIonizationAtmosphere of MarsCarbon dioxideCharacterization (materials science)Sensitivity (control systems)Chemical polarityZeeman effectAtomic electron transitionInfrared spectroscopyChemical physicsMolecular physicsWater vaporAstrophysics and Star Formation StudiesSpectroscopy and Laser ApplicationsMolecular Spectroscopy and Structure