Noble gas broadening calculation for fundamental bands of H 2 S

Abstract

The results of calculations of He-, Ne-, Ar-, Kr-, and Xe- broadening coefficients of ν₁, ν ₂ and ν₃ ro-vibrational lines of H₂S molecule are presented and discussed. The calculations were performed in the framework of the Robert-Bonamy method, in which the exact trajectory model was incorporated. Parameters of the interaction potentials, chosen in the form of atom-atom potentials, were optimized to give the best agreement with the existing experimental data. With the exception of the some data the agreement between the calculated and experimentally measured broadening coefficients γ is satisfactory for the ν₁ and ν₃ bands of H₂S for all collisional partners. The measured strong J-dependence of helium broadening in the ν₂ band did not appear in the calculation. Besides, it was found that an interaction potential for H₂S- He system is ambiguously determined. The optimal set of the parameters for H₂S- He interaction potential was used in the calculation of the helium broadening coefficients for the ν₁ band of H₂S (J ⩽ 15, 100 K ⩽ T ⩽ 1000K) and then for their analytical representation.