1. Assignment and modelling of 12CH4 spectra in the 5550–5695, 5718–5725 and 5792–5814 cm−1 regions.
- Author
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Nikitin, A.V., Thomas, X., Daumont, L., Rey, M., Sung, K., Toon, G.C., Smith, M.A.H., Mantz, A.W., Protasevich, A.E., Tashkun, S.A., and Tyuterev, Vl.G.
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METHANE spectra , *FOURIER transform spectrometers , *CURVE fitting , *LEAST squares , *STANDARD deviations , *HAMILTONIAN systems - Abstract
Highlights • 5819 line positions and intensities were retrieved from measured spectra in the 5550- 5825 cm−1 region. • More than 2800 new assignments were made in the region. • More than 3445 experimental line positions were modeled to 0.0024 cm−1. Abstract A new study of 12CH 4 line positions and intensities was performed for the Tetradecad regions 5550,000–5695.250, 5718.8–5724.250 and 5792.36–5814.290 cm−1 using long path (202 m, 602 m, 1604 m and 1804 m) spectra of normal samples of CH 4 at different pressures recorded with a Fourier transform spectrometer in Reims, France. Line positions and intensities were retrieved by least squares curve-fitting procedures and analyzed using the effective Hamiltonian and the effective dipole moment expressed in terms of irreducible tensor operators adapted to spherical top molecules. An 80 K spectrum recorded in Jet Propulsion Laboratory (JPL), Pasadena, of enriched 12CH 4 was used for low-J line positions. Another 80 K spectrum of enriched 13CH 4 from JPL was used to discern the isotopic lines. A new measured linelist contains positions and intensities for 5819 features. Quantum assignments were made for more than 3400 transitions, which represent ∼95% of the integrated line intensity observed in this region. All assigned 3445 line positions were fitted with RMS standard deviations of 0.0024 cm−1. The sum of observed intensities between 5550 and 5695 cm−1 fell within 2% of the predicted value from ab initio variational calculations reported in the TheoReTS database (http://theorets.univ-reims.fr ; http://theorets.tsu.ru). [ABSTRACT FROM AUTHOR]
- Published
- 2018
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