15min:
HIGH-RESOLUTION SPECTROSCOPY AND PRELIMINARY GLOBAL ANALYSIS OF C--H STRETCHING VIBRATIONS OF C2H4 IN THE 3000 AND 6000 CM-1 REGIONS.

M. A. LORONO GONZALEZ, Department of Chemistry, Universidad de Oriente, Cumaná 6101, Estado Sucre, Venezuela; V. BOUDON, M. LOËTE, Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 5209 CNRS-Université de Bourgogne, 9. Av. A. Savary, BP 47870, F-21078 Dijon Cedex, France; M. ROTGER, M.-T. BOURGEOIS, Groupe de Spectrométrie Moléculaire et Atmosphérique, CNRS UMR 6089, Moulin de la Housse, BP 1039, Cases 16-17, F-51687 Reims Cedex 2, France; K. DIDRICHE, M. HERMAN, Laboratoire de Chimie quantique et Photophysique, CP160/09, Faculté des Sciences, Université Libre de Bruxelles, 50 ave. Roosevelt, B-1050, Brussels, Belgium; V. A. KAPITANOV, YU. N. PONOMAREV, A. A. SOLODOV, A. M. SOLODOV, T. M. PETROVA, V.E. Zuev Institute of Atmospheric Optics SB RAS,1, Zuev Square, Tomsk, 634921, Russia.

Ethylene is a naturally occurring compound in ambient air that affects atmospheric chemistry and global climate. The C2H4 spectrum is available in databases only for the 1000 and 3000 cm-1 ranges. In this work\footnoteM. A. Loronno Gonzalez et al.\/ , J. Quant. Spectrosc. Radiat. Transfer\/ , 111, 2265--2278 (2010)., the ethylene absorption spectrum was measured in the 6030-6250 cm-1 range with the use of a high resolution Bruker IFS 125HR Fourier-spectrometer and a two-channel opto-acoustic spectrometer with a diode laser. As a secondary standard of wavelengths, the methane absorption spectrum was used in both cases. A preliminary analysis was realized thanks to the tensorial formalism developed by the Dijon group that is implemented in the XTDS software package. We considered the two combination bands nu5+ nu9 and nu5+ nu11 as an interacting dyad. Parameters for the nu9/ nu11 dyad were fitted simultaneously from a re-analysis of previously recorded supersonic expansion jet FTIR data, while parameters for the v5=1 Raman level were taken from literature. More than 600 lines could be assigned in the 6030-6250 cm-1 region (and also 682 in the 2950--3150 cm-1 region) and effective Hamiltonian parameters were fitted, including Coriolis interaction parameters. The dyad features are globally quite well reproduced, even if there are still problems at high J values.