Inelastic scattering of CH3 CO+ protonated ketene induced by He atoms and non-LTE analysis

Authors

• Abdelhak Jrad
• Steve Ndengué, Haverford CollegeFollow

Document Type

Journal Article

Role

Author

Published In

Chemical Physics Letters

Article Number

143058

Publication Date

9-23-2026

Abstract

Inelastic scattering of CH₃CO+ induced by He is investigated. To do, potential energy surface of CH₃CO+– He is constructed using CCSD(T)-F12/aug-cc-pVTZ approach. A global minimum with an energy of -170.05 cm⁻¹ is identified. Then, cross-sections are determined using close coupling approach for A/E-CH₃CO^＋– He up to E = 500 cm⁻¹. Rate coefficients are derived for kinetic temperatures up to T = 90 K. A predominance of |ΔJ|=1 with ΔK=0 processes is outlined. Finally, radiative transfer analysis reveals a population inversion for 20→10 line.

Suggested Citation

Jrad, A., & Ndengué, Steve. (2026). Inelastic scattering of CH3 CO+ protonated ketene induced by He atoms and non-LTE analysis. Chemical Physics Letters, 143058. https://doi.org/10.1016/j.cplett.2026.143058