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

60 Poster session, D13Frequency analysis of the 10 and 3 μm regions of theethylene spectrum using the D 2h Top Data SystemMarie-Thérèse Bourgeois, 1 Maud Rotger, 1 Vincent Boudon, 2Jean Vander Auwera 31 Groupe de Spectrométrie Moléculaire et Atmosphérique, UMR CNRS 7331,Université de Reims, Moulin de la Housse, BP 1039, F-51687 Reims Cedex, France,maud.rotger@univ-reims.fr;2Laboratoire Interdisciplinaire Carnot de Bourgogne, CNRS UMR 6303, 9 avenue A.Savary, BP 47 870, F-21000 Dijon Cedex, France, vincent.boudon@u-bourgogne.fr;3Service de Chimie Quantique et Photophysique, C.P. 160/09, Université Libre deBruxelles, 50 avenue F.D. Roosevelt, B-1050 Brussels, Belgium, jauwera@ulb.ac.beBourgeois M.-T.Rotger M.Boudon V.Vander AuweraWe developed a tensorial formalism adapted to X 2 Y 4 planar asymmetric tops with D 2hsymmetry [1], and proposed a program suite called D 2h TDS [2] to calculate their highresolutionspectra. This approach has the advantages to allow a systematic developmentof rovibrational interactions and to make global, polyad-by-polyad analyses easier toperform. With such theoretical means, we aim to describe globally the first two lowenergy spectral regions of ethylene ( 12 C 2 H 4 ).Following our work devoted to the ν 12 band [3], we use D 2h TDS to perform a frequencyre-analysis of the ν 10 /ν 7 /ν 4 /ν 12 infrared tetrad in the 800 – 1500 cm –1 region (see [4] fora review of the extensive studies devoted to this region). We also apply D 2h TDS to theanalysis of the complex 3 μm region, corresponding to the excitation of the ν 9 (at 3106cm –1 ) and ν 11 (at 2989 cm –1 ) modes, the upper states of which being Coriolis-coupled tomany vibrational combination states [5]. These studies rely on high-resolution Fouriertransform spectra that we recorded in both spectral ranges. Results of this ongoing workwill be presented and discussed.References[1] W. Raballand, M. Rotger, V. Boudon, M. Loëte, J. Mol. Spectrosc. 217, 239, 2003.[2] C. Wenger, W. Raballand, M. Rotger, V. Boudon, J. Quant. Spectrosc. Radiat.Transfer 95, 521, 2005.[3] M. Rotger, V. Boudon, J. Vander Auwera, J. Quant. Spectrosc. Radiat. Transfer109, 952, 2008.[4] E. Rusinek, H. Fichoux, M. Khelkhal, F. Herlemont, J. Legrand, A. Fayt, J. Mol.Spectrosc. 189, 64, 1998.[5] B.G. Sartakov, J. Oomens, J. Reuss, A. Fayt, J. Mol. Spectrosc. 185, 31, 1997.AcknowledgmentsJVDA acknowledges financial support from the Fonds de la Recherche Scientifique (F.R.S.-FNRS, Belgium, contract FRFC), the Action de Recherches Concertées of the Communautéfrançaise de Belgique, and the Belgian Federal Science Policy Office (contract SD/CS/07A,Advanced Exploitation of Ground-Based Measurements for Atmospheric Chemistry andClimate applications – II).