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Semi-classical calculations of self-broadening coefficients of OCS and HCN at temperatures between 200 K and 298 K

For some temperatures of atmospheric interest from 200 to 298 K, the self-broadening coefficients of OCS-OCS and HCN-HCN collisional systems, at different strengths of electrostatic interactions, were calculated respectively for ν(1) and ν(2) bands for a wide range of rotational quantum numbers J. I...

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Autores principales: Jellali, C., Galalou, S., Cuisset, A., Dhib, M., Aroui, H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Academic Press 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5084834/
https://www.ncbi.nlm.nih.gov/pubmed/27812224
http://dx.doi.org/10.1016/j.jms.2016.08.014
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author Jellali, C.
Galalou, S.
Cuisset, A.
Dhib, M.
Aroui, H.
author_facet Jellali, C.
Galalou, S.
Cuisset, A.
Dhib, M.
Aroui, H.
author_sort Jellali, C.
collection PubMed
description For some temperatures of atmospheric interest from 200 to 298 K, the self-broadening coefficients of OCS-OCS and HCN-HCN collisional systems, at different strengths of electrostatic interactions, were calculated respectively for ν(1) and ν(2) bands for a wide range of rotational quantum numbers J. In particular, we have considered some lines that were not studied previously. We have employed the approximation of bi-resonance functions (Starikov, 2012) in the frame of the semiclassical model of Robert and Bonamy with exact trajectory (RBE). The calculated results are found to be fully consistent with the available experimental values of self-broadening coefficients of OCS and HCN. A comparative study shows that the RBE calculations reproduce the dependence of broadening coefficients on quantum number J much better than the simpler Robert and Bonamy model with parabolic trajectory (RB) for all considered temperatures.
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spelling pubmed-50848342016-11-01 Semi-classical calculations of self-broadening coefficients of OCS and HCN at temperatures between 200 K and 298 K Jellali, C. Galalou, S. Cuisset, A. Dhib, M. Aroui, H. J Mol Spectrosc Article For some temperatures of atmospheric interest from 200 to 298 K, the self-broadening coefficients of OCS-OCS and HCN-HCN collisional systems, at different strengths of electrostatic interactions, were calculated respectively for ν(1) and ν(2) bands for a wide range of rotational quantum numbers J. In particular, we have considered some lines that were not studied previously. We have employed the approximation of bi-resonance functions (Starikov, 2012) in the frame of the semiclassical model of Robert and Bonamy with exact trajectory (RBE). The calculated results are found to be fully consistent with the available experimental values of self-broadening coefficients of OCS and HCN. A comparative study shows that the RBE calculations reproduce the dependence of broadening coefficients on quantum number J much better than the simpler Robert and Bonamy model with parabolic trajectory (RB) for all considered temperatures. Academic Press 2016-11 /pmc/articles/PMC5084834/ /pubmed/27812224 http://dx.doi.org/10.1016/j.jms.2016.08.014 Text en © 2016 The Authors http://creativecommons.org/licenses/by-nc-nd/4.0/ This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Article
Jellali, C.
Galalou, S.
Cuisset, A.
Dhib, M.
Aroui, H.
Semi-classical calculations of self-broadening coefficients of OCS and HCN at temperatures between 200 K and 298 K
title Semi-classical calculations of self-broadening coefficients of OCS and HCN at temperatures between 200 K and 298 K
title_full Semi-classical calculations of self-broadening coefficients of OCS and HCN at temperatures between 200 K and 298 K
title_fullStr Semi-classical calculations of self-broadening coefficients of OCS and HCN at temperatures between 200 K and 298 K
title_full_unstemmed Semi-classical calculations of self-broadening coefficients of OCS and HCN at temperatures between 200 K and 298 K
title_short Semi-classical calculations of self-broadening coefficients of OCS and HCN at temperatures between 200 K and 298 K
title_sort semi-classical calculations of self-broadening coefficients of ocs and hcn at temperatures between 200 k and 298 k
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5084834/
https://www.ncbi.nlm.nih.gov/pubmed/27812224
http://dx.doi.org/10.1016/j.jms.2016.08.014
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