New de-excitation rates of the open shell dicarbon monoxide C2O(X3Σ−) in collision with He(1S)

Abstract

Abstract In order to derive accurate physical conditions of the interstellar clouds (like TMC-1) from the rotational transitions of C2O, collisional rates are needed. Based on a new two-dimensional potential energy surface (2D-PES), we report a new rate coefficients calculation of C2O(X3Σ−) induced by collision with He. This PES was obtained from the explicitly correlated restricted open-shell coupled cluster with single, double and perturbative triple excitation (rccsd(t)-f12) ab initio approach associated with aug-cc-pVTZ basis sets. The C2O–He PES presents one minimum below its dissociation limit with a well depth of 42.376 cm−1. The close-coupling quantum time independent formalism was used to derive cross sections for E ≤ 370 cm−1 and N ≤ 10. De-excitation rate coefficients are obtained for thermal temperature below 80 K.