Semiclassical calculations of half-widths and line shifts for transitions in the 30012←00001 and 30013←00001 bands of CO2 II: Collisions with O2 and air

The complex Robert-Bonamy (CRB) formalism was used to calculate the half-width, its temperature dependence, and the line shift for CO2 for transitions in the 30012←00001 and 30013←00001 bands with O2 as the perturbing gas. The calculations were done for rotational quantum numbers from J=0 to J=120 with no ad hoc scaling of the line shape equations. The intermolecular potential parameters are adjusted on accurate experimental measurements of the half-widths, its temperature dependence, and the pressure-induced line shifts so that a single intermolecular potential reproduces all three parameters. Using the results of this work and previous results for N2-broadening, air-broadening line shape parameters were also determined. The comparison of the CRB calculations with the experimental data available in the literature for the three line shape coefficients demonstrates the quality of the present calculations for the both bands under study.

► Semiclassical Complex Robert-Bonamy calculations for the CO2-O2 and CO2-air systems. ► Fermi-tetrad bands, 30012←00001 and 30013←00001. ► Half-widths, temperature dependence of the half-width, line shifts. ► Effects of the trajectory model and imaginary components on line shape. ► Comparison with measurement.