High-Resolution Spectroscopy and Analysis of the ν_3/2ν_4 Dyad of CF_4

Details High-Resolution Spectroscopy and Analysis of the ν_3/2ν_4 Dyad of CF_4 High-Resolution Spectroscopy and Analysis of the ν_3/2ν_4 Dyad of CF_4

Jun 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009mss..conferi09b&link_type=abstract

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

Computer Science

Databases

Atmospheric Species

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CF_4 is a strong greenhouse gas of both anthropogenic and natural origin. However, high-resolution infrared spectroscopy of this molecule has received only a limited interest up to now. The public databases only contain cross-sections for this species, but no detailed line list. We reinvestigate here the strongly absorbing ν_3 region around 7.3 μm. Two new Fourier transform infrared spectra at a 0.003 cm^{-1} resolution have been recorded: i) a room-temperature spectrum in a static cell with a 5 mb pressure and ii) a supersonic expansion jet spectrum at a 15 K estimated temperature. Following the work of Gabard et al., we perform a simultaneous analysis of both the ν_3 and 2ν_4 bands since a strong Coriolis interaction occurs between them, perturbing the ν_3 R-branch rotational clusters around J=20. As in Ref. ref{gab}, we also include ν_3-ν_3 microwave data in the fit. The analysis is performed thanks to the XTDS and SPVIEW programs. Compared to Ref. ref{gab}, the present work extends the analysis up to higher J values (56 instead of 32). Absorption intensities are estimated thanks to the dipole moment derivative value of D. Papoušek et al. and compare well with the experiment. The rotational energy surfaces for the ν_3/2ν_4 dyad are also examined in order to understand the distribution of rovibrational levels.
D. R. Worton, W. T. Sturges, L. K. Gohar et al., Environ. Sci. Technol. 41, 2184-2189 (2007).
T. Gabard, G. Pierre and M. Takami, Mol. Phys. 85, 735-744 (1995)
Ch. Wenger, V. Boudon, M. Rotger, M. Sanzharov and J.-P. Champion, J. Mol. Spectrosc., 251 102-113 (2008).
D. Papoušek, Z. Papou\vsková and D. P. Chong, J. Phys. Chem. 99, 15387-15395 (1995).

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