Mant Barry, Yurtsever Ersin, González-Sánchez Lola, Wester Roland, Gianturco Franco A
Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstr. 25/3, 6020 Innsbruck, Austria.
Department of Chemistry, Koç University, Rumelifeneri yolu, Sariyer, TR-34450 Istanbul, Turkey.
J Chem Phys. 2021 Feb 28;154(8):084305. doi: 10.1063/5.0039854.
The vibrational quenching cross sections and corresponding low-temperature rate constants for the ν = 1 and ν = 2 states of CN(Σ) colliding with He and Ar atoms have been computed ab initio using new three-dimensional potential energy surfaces. Little work has been carried out so far on low-energy vibrationally inelastic collisions for anions with neutral atoms. The cross sections and rates calculated at energies and temperatures relevant for both ion traps and astrochemical modeling are found by the present calculations to be even smaller than those of the similar C /He and C /Ar systems, which are in turn of the order of those existing for the collisions involving neutral diatom-atom systems. The implications of our finding in the present case mainly focus on the possible role of small computed rate constants in the dynamics of molecular cooling and the evolution of astrochemical modeling networks.
