TY - DATA T1 - First high-resolution analysis of the ν1, ν3 and ν1 + ν3 bands of sulphur dioxide 33S16O2 PY - 2017/01/20 AU - J.-M. Flaud AU - T.A. Blake AU - W.J. Lafferty UR - https://tandf.figshare.com/articles/dataset/First_high-resolution_analysis_of_the_sub_1_sub_sub_3_sub_and_sub_1_sub_sub_3_sub_bands_of_sulphur_dioxide_sup_33_sup_S_sup_16_sup_O_sub_2_sub_/4569877 DO - 10.6084/m9.figshare.4569877.v1 L4 - https://ndownloader.figshare.com/files/7401898 KW - High-resolution infrared KW - 33S16O2 sulphur dioxide KW - molecular parameters N2 - High-resolution spectra of 33S16O2 have been recorded for the first time in the 8 and 4 µm spectral regions.The ν1, ν3 and ν1 + ν3 bands of the 33S16O2 have been analysed up to very high quantum numbers.Accurate ro-vibrational upper states constants have been determined. High-resolution spectra of 33S16O2 have been recorded for the first time in the 8 and 4 µm spectral regions. The ν1, ν3 and ν1 + ν3 bands of the 33S16O2 have been analysed up to very high quantum numbers. Accurate ro-vibrational upper states constants have been determined. Fourier transform spectra of sulphur dioxide 33S16O2 have been recorded in the 8.0 and 4.0 µm spectral regions at a resolution of 0.0015 cm−1 using a Bruker IFS 125HR spectrometer leading to the observation of the ν1, ν3 and ν1 + ν3 vibrational bands of the 33S16O2 molecule. The corresponding upper state ro-vibrational levels were fit using a Hamiltonian matrix taking into account a Coriolis ΔKa = 3 resonance between the ro-vibrational levels of the 11 and 31 vibrational states and a Watson-type Hamiltonian for the ro-vibrational levels of the 11 31 vibrational state. In this way it was possible to reproduce the upper state ro-vibrational levels to within the experimental uncertainty; i.e. ∼0.20 × 10−3 cm−1. Very accurate rotational and centrifugal distortion constants were derived from the fit together with the following band centres: ν0 (ν1) = 1147.979535(60) cm−1, ν0 (ν3) = 1353.335912(60) cm−1 and ν0 (ν1 + ν3) = 2487.493732(30) cm−1. ER -