Academic Journal
Line parameters measurements and modeling for the ν6 band of CH3I: A complete line list for atmospheric databases
| العنوان: | Line parameters measurements and modeling for the ν6 band of CH3I: A complete line list for atmospheric databases |
|---|---|
| المؤلفون: | Raddaoui, E., Troitsyna, L., Dudaryonok, A., Soulard, Pascale, Guinet, M., Aroui, Hassen, Buldyreva, Jeanna, Lavrentieva, N., Jacquemart, David |
| المساهمون: | De la Molécule aux Nanos-objets : Réactivité, Interactions et Spectroscopies (MONARIS), Institut de Chimie - CNRS Chimie (INC-CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Université de Tunis, Univers, Théorie, Interfaces, Nanostructures, Atmosphère et environnement, Molécules (UMR 6213) (UTINAM), Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté COMUE (UBFC)-Université Bourgogne Franche-Comté COMUE (UBFC), V.E. Zuev Institute of Atmospheric Optics (IAO), Siberian Branch of the Russian Academy of Sciences (SB RAS), Université Pierre et Marie Curie - Paris 6 (UPMC) |
| المصدر: | ISSN: 0022-4073 ; Journal of Quantitative Spectroscopy and Radiative Transfer ; https://hal.science/hal-02354551 ; Journal of Quantitative Spectroscopy and Radiative Transfer, 2019, 232, pp.165-179. ⟨10.1016/j.jqsrt.2019.04.036⟩. |
| بيانات النشر: | HAL CCSD Elsevier |
| سنة النشر: | 2019 |
| المجموعة: | Université de Franche-Comté (UFC): HAL |
| مصطلحات موضوعية: | methyl iodide, ν6 band, line intensities, self-broadening coefficients, J-and K- dependencies, measurements, semi-classical calculations, semi-empirical calculations, line list, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [PHYS.PHYS.PHYS-AO-PH]Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph] |
| الوصف: | International audience ; The present work is dedicated to the ν6 band of 12CH3I with the aim of generating a complete line list for databases. High resolution Fourier transform spectra have been recorded in MONARIS and a multispectrum fitting procedure using Voigt profile has been applied to retrieve line positions, intensities, and self-broadening coefficients for around 1200 transitions of the ν6 band between 854 and 963 cm−1. Rotational dependences of transition dipole moment squared and self-widths have been studied and empirically modeled. Line positions are retrieved with accuracy equal to 4.10−4 cm−1. The accuracy of line intensities and self-widths measurements is estimated between 5 and 10 %. Theoretical estimates of CH3I self-broadening coefficients for large ranges of rotational quantum numbers (0 ≤ J ≤ 70, 0 ≤ K ≤ 20) are also provided in the frame of a semi-classical approach with exact trajectories and of a semi-empirical method including a correction factor to the Anderson-type line-width expression. Comparisons of our results with the data previously published in the literature are presented and discussed. A complete line list of 5787 transitions is generated. Available as supplementary material, this line list can be used for spectroscopic databases and atmospheric or industrial detection of CH3I. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| DOI: | 10.1016/j.jqsrt.2019.04.036 |
| الاتاحة: | https://hal.science/hal-02354551 https://hal.science/hal-02354551v2/document https://hal.science/hal-02354551v2/file/Manuscript%20fin%2002%202019.pdf https://doi.org/10.1016/j.jqsrt.2019.04.036 |
| Rights: | info:eu-repo/semantics/OpenAccess |
| رقم الانضمام: | edsbas.2351C104 |
| قاعدة البيانات: | BASE |
| DOI: | 10.1016/j.jqsrt.2019.04.036 |
|---|