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New analysis of the v$_6$ and 2v$_3$ bands of methyl iodide (CH$_3$I)

Abstract : A new rovibrational study of the v$_6$ = 1 band of methyl iodide was conducted to obtain a rather complete line list. Therefore, we accomplished a new analysis in line position. The spectrum of this band has been first recorded using the FTIR Bruker HR125 at the AILES beamline of the SOLEIL Synchrotron facility and later with the Bruker FTIR IFS125HR located at the LISA facility in Créteil. The final analysis led to the assignment of about 10000 infrared lines up to J =85 and |$K$| =20 quantum numbers, 6000 lines of which are due to the $^{127}$I nuclear quadrupole coupling hyperfine structure revealed in the spectrum owing to the iodine nuclei. A global fit based on the Watson model of these new infrared data combined with previously assigned microwave lines helped improving the last set of published parameters for this band. The v$_3$ = 2 band was also analysed and around 1500 lines were assigned. Due to the high values of quantum numbers achieved for the v$_6$ = 1 energy levels, it proved to be crucial to take into account an $\alpha$($\Delta$ = $\pm$1; $\Delta$$K$ = $\pm$2) and a $C_x$ ($\Delta$ = $\pm$1; $\Delta$$K$ = $\pm$1) types of Coriolis interactions with the levels of v$_3$ = 2 and of v$_2$ = 1 respectively.
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A. Perrin, I. Haykal, F. Kwaba Tchana, L. Manceron, D. Doizi, et al.. New analysis of the v$_6$ and 2v$_3$ bands of methyl iodide (CH$_3$I). Journal of Molecular Spectroscopy, Elsevier, 2016, 324, pp.28-35. ⟨10.1016/j.jms.2016.04.014⟩. ⟨cea-02389742⟩

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