6533b7cffe1ef96bd12597f7

RESEARCH PRODUCT

First analysis of the ν3+ν5 combination band of SF6 observed at Doppler-limited resolution and effective model for the ν3+ν5-ν5 hot band

Mbaye FayeVincent BoudonLaurent ManceronMichel LoetePascal Roy

subject

Physics010304 chemical physics010504 meteorology & atmospheric sciencesAtmospheric modelsInfrared spectroscopySynchrotron radiation01 natural sciences7. Clean energyAtomic and Molecular Physics and OpticsSpectral lineHot bandSulfur hexafluoridechemistry.chemical_compoundFar infraredchemistry13. Climate action0103 physical sciencesPhysical and Theoretical ChemistryAtomic physicsSpectroscopyOptical path length0105 earth and related environmental sciences

description

Abstract Sulfur hexafluoride is a greenhouse gas with a long lifetime in the atmosphere and an important tracer for air mass circulation atmospheric models. The IR spectrum of this heavy species, however, features many hot bands at room temperature (at which only 30% of the molecules lie in the ground vibrational state), especially those originating from the lowest, v 6 and v 5 = 1 vibrational states. Using a cryogenic long path cell with variable optical path length and temperatures regulated between 168 and 163 K, coupled to Synchrotron Radiation and a high resolution interferometer, Doppler-limited spectra of the very weak ν 3 + ν 5 band near 1450 cm−1 have been recorded. Low temperature was used to limit the presence of hot bands and simplify the rotational structure. The spectrum has been analyzed thanks to the XTDS software package. Combining with the results obtained previously on the weak difference bands in the far infrared region involving the v 5 = 1 states, we are thus able to use the tensorial model to propose a spectroscopic parameter set for modelling the strong ν 3 + ν 5 - ν 5 hot band. The model constitutes a coherent set of molecular parameters and enable spectral simulation for atmospheric sounding. Test simulations at different temperatures and in nitrogen broadened conditions are presented and compared with new experimental cross section data for the absorption region relevant for atmospheric quantification.

https://doi.org/10.1016/j.jms.2018.01.004