Vibrational quenching of CN− in collisions with He and Ar

The vibrational quenching cross sections and corresponding low-temperature rate constants for the ν = 1 and ν = 2 states of CN−(1Σ+) 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-energ...

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Bibliographic Details
Published in:The Journal of chemical physics 2021-02, Vol.154 (8), p.084305-084305
Main Authors: Mant, Barry, Yurtsever, Ersin, González-Sánchez, Lola, Wester, Roland, Gianturco, Franco A.
Format: Article
Language:English
Subjects:
Computation
Cooling rate
Cross-sections
Inelastic collisions
Ion traps (instrumentation)
Low temperature
Modelling
Neutral atoms
Potential energy
Quenching
Rate constants
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Summary:The vibrational quenching cross sections and corresponding low-temperature rate constants for the ν = 1 and ν = 2 states of CN−(1Σ+) 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 C2−/He and C2−/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.
ISSN:0021-9606
1089-7690
DOI:10.1063/5.0039854