Interstellar Anions Play an Important Role in Astrochemistry as Being Tracers of the Physical and Chemical Conditions in Cold Molecular Clouds and Circumstellar Gas. the Local Thermodynamic Equilibrium is Generally Not Fulfilled in Media Where Anions Are Detected and Radiative and Collisional Data Are Required to Model the Observed Lines. the C2H- Anion Has Not Yet Been Detected in the Interstellar Medium; However, Collisional Data Could Be Used for Non-LTE Models that Would Help in Identifying the Most Intense Lines. for This Purpose, We Have Computed the First 4D Potential Energy Surface (PES) of the C2H--H2 Complex using an Explicitly Correlated Coupled-Cluster Approach. the PES is Characterized by a Single Deep Minimum with a Well-Depth of 924.96 Cm-1. from This Interaction Potential, We Derived Excitation Cross Sections and Rate Coefficients of C2H- Induced by Collisions with Para- and Ortho-H2. the Results Obtained for Collisions with Para-H2 Are Compared to Previous Calculations Performed using a 2D-PES Obtained from an Average over H2 Rotations.
F. Dumouchel et al., "Collisional Excitation of C2H- by H2: New Interaction Potential and Scattering Calculations," The Journal of chemical physics, vol. 158, no. 16, American Institute of Physics, Apr 2023.
The definitive version is available at https://doi.org/10.1063/5.0148119
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28 Apr 2023