Rotational (de-)excitation of protonated tricarbon monosulfide HC3S+ by collision with helium atoms

Abstract

A new two-dimensional potential energy surface of the interaction between HC3S+ molecule and helium atom is mapped using an explicitly correlated coupled cluster approach with a single, double and perturbative triple excitation-F12a approach with an augmented-correlation-consistent polarized valence triple-zeta Gaussian basis set. The deepest potential well is identified at θ = 95∘ and R = 6.0 bohr with a depth of 100.67 cm−1. Cross-sections are determined for total energy up to 300 cm−1 using a coupled states method. Thermal rate coefficients are derived from the determined cross-sections for temperatures ranging between 3 K and 50 K. A clear predominance of = 2 processes is observed.