New Analysis of the ν_3 Band of HDCO (monodeuterated Formaldehyde) in the 5.8 μm Region

Details New Analysis of the ν_3 Band of HDCO (monodeuterated Formaldehyde) in the 5.8 μm Region New Analysis of the ν_3 Band of HDCO (monodeuterated Formaldehyde) in the 5.8 μm Region

Jun 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009mss..conferi07g&link_type=abstract

"International Symposium On Molecular Spectroscopy, 64th Meeting, Held 22-26 June, 2009 at Ohio State University. http://molspec

Physics

Atmospheric Species

Scientific paper

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 ν_3 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 ν_3 lines which are due to the existence of the 2ν_5 (at 2059 cm^{-1}) and ν_5+ν_6 (at 2087 cm^{-1}) dark bands. In addition a local resonance is perturbing the 3^1 levels
which is due to a crossing with the 4^1 energy levels. However the 4^1 state is also involved in strong vibration-rotation interactions coupling the {5^1,6^1,4^1} system of resonating states of HDCO J. Mol. Spectrosc. 216, 214 (2002)}. Therefore the final energy levels calculation which was performed for the {5^1,6^1,4^1,3^1,5^2,5^16^1} 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 ν_3 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.
[1] Johns JWC, McKellar ARW., J Mol Spectrosc 1977; 64: 327-339
[2] ν_4, ν_5 and ν_6 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}.
[3] A. Perrin, J. M. Flaud, L. Margulès, J. Demaison, H. Mäder and S. Wörmke, J. Mol. Spectrosc. 216, 214 (2002)
[4] Gratien, Nilsson, Doussin, Johnson, Nielsen, Stenstrom and Picquet-Varrault, J. Phys. Chem. 111, 11506 (2007)

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