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Flaud, J.-M.; Kwabia Tchana, F.; Lafferty, W.J.; Nixon, C.A.
Molecular physics, 04/2010, Volume: 108, Issue: 6Journal Article
Using high-resolution Fourier transform spectra of propane recorded in the 13.4 µm (resolution 0.002 cm −1 ) and in the 27.4 µm (resolution 0.0011 cm −1 ) spectral regions, it was possible to perform a thorough assignment of both the ν 26 band at 745 cm −1 and the 2ν 9 -ν 9 band at about 370 cm −1 . This simultaneous assignment was necessary since the 26 1 and 9 2 rotational levels interact strongly through an A-type Coriolis interaction. The experimental upper-state rotational levels were fit using a Hamiltonian matrix which takes into account explicitly this strong A-type Coriolis interaction. With this model the experimental energy levels were fit to within their experimental uncertainties and accurate band centres, rotational, centrifugal distortion and coupling constants were determined. The following band centres were derived: ν o (ν 26 ) = 748.530882(80) cm −1 and ν o (2ν 9 ) = 740.29213(10) cm −1 . Finally, it is shown how the use of these new spectral parameters greatly improves the accuracy of modelling of Titan's infrared spectrum at 13.4 µm, relative to the currently available GEISA atlas for the same band.
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