What question did this study set out to answer?

To analyze the infrared spectra of trifluoromethane isotopologues for better understanding of atmospheric pollution.

March 4, 2026Physical Chemistry Chemical Physics2 citations

Infrared spectra of trifluoromethane isotopologues ( 12 CHF3 , 13CHF3 , and 12CDF3 ) from high-accuracy ab initio calculations for atmospheric analysis of hydrofluorocarbons

OEO. V. EgorovV.E. Zuev Institute of Atmospheric Optics MRMichael ReyCentre National de la Recherche Scientifique

Key Points

To analyze the infrared spectra of trifluoromethane isotopologues for better understanding of atmospheric pollution.
Conducted high-accuracy ab initio calculations
Examined isotopologues 12CHF3, 13CHF3, and 12CDF3
Utilized spectral data for atmospheric analyses
Identified key spectral features for isotopologues
Provided data to support monitoring of CHF3 emissions
Demonstrated the environmental impact of trifluoromethane on global warming

Abstract

Trifluoromethane (CHF3 ) is a pollutant gas with a large global warming potential. Although CHF3 emissions are actively monitored using ground-and space-based spectrometers, this molecule is still absent from the...

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