15min:
NEW ANALYSIS OF THE nu3 BAND OF HDCO (MONODEUTERATED FORMALDEHYDE) IN THE 5.8~µm REGION.

L. GOMEZ, LAboratoire de Dynamique, Interactions et Réactivité (LADIR, CNRS UMR 7075) Université Pierre et Marie Curie - Paris VI ; Case courrier 49, Bât F 74, 4, place Jussieu, 75252 Paris Cedex, France.; A. PERRIN, Laboratoire Inter Universitaire des Systemes Atmosphériques, CNRS, Université Paris 12, 61 Av du General de Gaulle, 94010 Créteil Cedex France; G. C. MELLAU, Justus-Liebig - Universität, Physikalisch-Chemisches Institut, Heinrich-Buff-Ring 58, D-35392 Gieß en, Germany.

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Using high-resolution Fourier transform spectra of mono deuterated formaldehyde (HDCO) recorded in the 5.8~µm spectral range at Giessen (Germany), we carried out an extensive analysis of the strong nu3 fundamental band (carbonyl stretching mode) at 1724.2676~cm-1, starting from results of a previous analysis . For this hybrid band (with both A- and B-type transitions) the analysis was pursued up to high rotational quantum numbers. In this way, it was possible to evidence resonances which perturb the nu3 lines which are due to the existence of the 2 nu5 (at 2059~cm-1) and nu5+ nu6 (at 2087~cm-1) dark bands \footnote[2] nu4, nu5 and nu6 correspond to the CHD bending (at 1396~cm-1), the CHD rocking (at 1028~cm-1) and the CHD out of plane (at 1059~cm-1) modes, respectively. In addition a local resonance is perturbing the 31 levels which is due to a crossing with the 41 energy levels. However the 41 state is also involved in strong vibration-rotation interactions coupling the $151,61,41$1 system of resonating states of HDCO \footnote[3]A. Perrin, J. M. Flaud, L. Margulès, J. Demaison, H. Mäder and S. Wörmke, J. Mol. Spectrosc. 216, 214 (2002). Therefore the final energy levels calculation which was performed for the $151,61,41,31,52,5161$1 resonating states accounts for the observed A- type, B- type C-type Coriolis (and/or) Fermi resonances. In this way it was possible to reproduce the observed line positions, within their experimental uncertainties. Finally using a nu3 band intensity available in the literature we generated, for the first time, a list of line parameters (positions and intensities) for the 5.8~µm band of HDCO.