Abstract book - Prof. Per Jensen, Ph.D. - Bergische Universität ...

Poster session, D24 71Self-broadening coefficients of CH 3 Cl linesCédric Bray 1 , David Jacquemart 1 , Nelly Lacome 1 , Arnaud Cuisset 2 , MickaelGuinet 2 , Sophie Eliet 2 , Gaël Mouret 2 , François Rohart 3 , Jeanna Buldyreva 41 Laboratoire de Dynamique, Interactions et Réactivité, Paris, France,bray.cedric@yahoo.fr, david.jacquemart@upmc.fr, nelly.lacome@upmc.fr;2 Laboratoire de Physico-Chimie de l’Atmosphère, Dunkerque, Francearnaud.cuisset@univ-littoral.fr, mickael.guinet@gmail.com;3 Laboratoire Physique des Lasers Atomes et Molécules, Lille, France,francois.rohart@univ-lille1.fr;4 Institut UTINAM, Besançon, France, jeanna.buldyreva@univ-fcomte.frBray C.Jacquemart D.Lacome N.Cuisset A.Guinet M.Eliet S.Mouret G.Rohart F.Buldyreva J.Rotational dependences of room-temperature methyl chloride self-broadeningcoefficients have been studied from ν 1 rovibrational transitions in the 3.4 µm nearinfrared region and from pure rotational transitions in the submillimeter/THz domain.High-resolution Fourier transform spectra have been recorded between 2800 and 3200cm -1 . Two complementary electronic and optoelectronic techniques of frequencymultiplicationand continuous-wave THz photomixing have been used allowing purerotational transitions involving large range of rotational quantum numbers (6 ≤ J ≤ 50, 0≤ K ≤12) to be probed. 1 A multi-spectrum fitting procedure has been used to retrieve theself-broadening coefficients from several experimental spectra recorded at differentpressures of CH 3 Cl. Average absolute accuracies on the measurements have beenestimated to be better than 10%.To model the K-dependences of self-broadening coefficients for fixed J values anempirical second-order polynomial model has been proposed. In addition, theexperimental studies have been supported by semi-classical calculations based on thereal symmetric-top geometry of the active molecule, an intermolecular potential modelincluding not only the dominant electrostatic but also the non-negligible short-rangeforces as well as on an exact classical treatment of the relative translational motion ofthe colliding partners 2 .Comparison of all experimental and theoretical results shows similar rotationaldependences and no significant vibrational dependence, so that extrapolations to otherspectral regions are straightforward. Being combined with previous works devoted todetermination of CH 3 Cl line positions/intensities, 3 N 2 -broadening, 1,4 and O 2 -broadeningcoefficients 5 the present study allows generating complete line lists for spectroscopicdatabases.References[1]. M. Guinet, F. Rohart, J. Buldyreva, V. Gupta, S. Eliet, R.A. Motienko, L. Margules,A. Cuisset, F. Hindle, G. Mouret, JQSRT 113, 1113 (2012).[2]. J. Buldyreva, L. Nguyen, Phys. Rev. A 77, 042720 (2008).[3]. C. Bray, A. Perrin, D. Jacquemart, N. Lacome, JQSRT 112, 2446 (2011).[4]. C. Bray, D. Jacquemart, J. Buldyreva, N. Lacome, A. Perrin, JQSRT 113, 1102(2012).[5]. J. Buldyreva, M. Guinet, S. Eliet, F. Hindle, G. Mouret, R. Bocquet, A. Cuisset,PCCP 13, 20326 (2011)