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

Abstract

Abstract A new two-dimensional potential energy surface of the interaction between HC 3 S + 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 <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" overflow="scroll"> <mml:mrow> <mml:mo>|</mml:mo> </mml:mrow> <mml:mi mathvariant="normal">Δ</mml:mi> <mml:mi>j</mml:mi> <mml:mrow> <mml:mo>|</mml:mo> </mml:mrow> </mml:math> = 2 processes is observed.