Analysis and modeling of combination bands of sulfur hexafluoride 32 SF 6 based on global fits. Update of the SHeCaSDa database
| Autor: | V. Madhur, Cyril Richard, Mbaye Faye, Laurent Manceron, H. Ke, Vincent Boudon |
|---|---|
| Přispěvatelé: | Laboratoire Interdisciplinaire Carnot de Bourgogne [Dijon] (LICB), Université de Bourgogne (UB)-Université de Technologie de Belfort-Montbeliard (UTBM)-Centre National de la Recherche Scientifique (CNRS), Ligne AILES, Synchrotron SOLEIL, De la Molécule aux Nanos-objets : Réactivité, Interactions et Spectroscopies (MONARIS), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS) |
| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
Infrared spectroscopy
Tensorial formalism 010402 general chemistry computer.software_genre Combination bands 01 natural sciences Hot band Spectral line chemistry.chemical_compound 0103 physical sciences Physical and Theoretical Chemistry Spectroscopy Physics 010304 chemical physics Database Rotational–vibrational spectroscopy Sulfur hexafluoride Atomic and Molecular Physics and Optics 0104 chemical sciences [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry Greenhouse gases chemistry 13. Climate action computer Spectroscopic database update |
| Zdroj: | Journal of Molecular Spectroscopy Journal of Molecular Spectroscopy, Elsevier, 2020, 368, pp.111251. ⟨10.1016/j.jms.2020.111251⟩ |
| ISSN: | 0022-2852 1096-083X |
| DOI: | 10.1016/j.jms.2020.111251⟩ |
| Popis: | International audience; Sulfur hexafluoride is a powerful greenhouse gas of industrial origin. Remotesensing detection of this heavy species requires a detailed knowledge of its infrared absorption spectra that features many hot bands at room temperature. It is thus necessary to study many of its rovibrational levels which are implied in such hot band transitions. Based on our previous results reporting global fits of many rovibrational bands [M. Faye at al., J. Quant. Spectrosc. Radiat. Transfer 190, 38-47 (2017)], we present here detailed analyses of three combination bands, namely ν 1 + ν 4 , ν 2 + ν 6 and ν 5 + ν 6. The ν 2 + ν 6 combination band has been already investigated some years ago, but the present analysis represents a strong improvement; the two other bands are analyzed in detail for the first time. The results contribute to improve the simulation of hot bands in the strongly absorbing ν 3 and ν 4 regions and they have been used to update the SHeCaSDa database (http://vamdc.icb.cnrs.fr/PHP/shecasda.php). |
| Databáze: | OpenAIRE |
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