Line intensity parameters, He-broadening and line shift coefficients in the 2v(2)(0) and 3v(2)(1) - v(2)(1) bands of OCS

MOLECULAR PHYSICS(2022)

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Abstract
Using Fourier transform spectrometer, He-broadening coefficients in the 2v(2)(0) and 3v(2)(1) - v(2)(1) bands of carbonyl sulfide ((OCS)-O-16-C-12-S-32) have been measured for the first time in the P- and R-branches. Measurements have been performed at room temperature (295 K) for 200 ro-vibrational lines with rotational quantum number ranging from 1 <= J <= 64, using a mono-spectrum non-linear least squares fitting of Voigt profiles. The measured values were discussed as a function of the rotational quantum number and compared to previous data. These broadening coefficients were also calculated on the basis of Robert and Bonamy's formalism using an ab-initio potential energy surface (PES). In addition, we have measured pressure shift coefficients for 92 transitions in both bands, these results were compared with those of the 2 nu(3) band. The line intensities in the 2v(2)(0) and 3v(2)(1) - v(2)(1) bands were also retrieved using the same spectra. The analysis of these intensities allows us to derive a consistent set of line intensity parameters such as vibrational transition moments, band intensities as well as Herman-Wallis (HW) coefficients. [GRAPHICS]
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Key words
OCS, He-broadening and shift coefficients, Fourier Transform infrared spectroscopy, ab-initio potential energy surface, line intensity parameters
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