Computed rotational collision rate coefficients for recently detected anionic cyanopolyynes

Abstract

We report new results from quantum calculations of energy-transfer processes taking place in interstellar environments and involving two newly observed molecular species: C5N− and C7N− in collision with He atoms and p-H2 molecules. These species are part of the anionic molecular chains labeled as cyanopolyynes, which have been observed over the years in molecule-rich circumstellar envelopes and in molecular clouds. In the present work, we first carry out new ab initio calculations for the C7N− interaction potential with He atoms and then obtain state-to-state rotationally inelastic cross sections and rate coefficients involving the same transitions, which have been observed experimentally by emission in the interstellar medium (ISM) from both of these linear species. For the C5N−/He system, we extend the calculations already published in Biwas et al. to compare more directly the two molecular anions. We extend further the quantum calculations by also computing in this work collision rate coefficients for the hydrogen molecule interacting with C5N−, using our previously computed interaction potential. Additionally, we obtain the same rate coefficients for the C7N−/H2 system by using a scaling procedure that makes use of the new C7N−/He rate coefficients, as discussed in detail in the present paper. Their significance in affecting internal state populations in ISM environments where the anionic cyanopolyynes have been found is analyzed by using the concept of critical density indicators. Finally, similarities and differences between such species and the comparative efficiency of their collision rate coefficients are discussed. These new calculations suggest that, at least for the case of these longer chains, the rotational populations could reach local thermal equilibrium conditions within their observational environments. © 2023. The Author(s). Published by the American Astronomical Society.