2022 •
Formation of NaCl by radiative association in interstellar environments
Authors:
Pavel Soldán, Martina Zámečníková, Magnus Gustafsson
Abstract:Context. Radiative association is a possible way of sodium chloride (NaCl) formation in interstellar and related environments. Theoretical studies are essential since laboratory experiments are unavailable and difficult to perform.Aims. The total rate coefficient was calculated for the formation of NaCl by radiative association at 30–750 K.Methods. We included two contributing processes for the total rate-coefficient co (...) Context. Radiative association is a possible way of sodium chloride (NaCl) formation in interstellar and related environments. Theoretical studies are essential since laboratory experiments are unavailable and difficult to perform.Aims. The total rate coefficient was calculated for the formation of NaCl by radiative association at 30–750 K.Methods. We included two contributing processes for the total rate-coefficient computation. One of them takes the nonadiabatic coupling between the two lowest 1Σ+ states, Χ1Σ+ and Β1Σ+, into account. The other one was calculated conventionally as a single channel and started in the continuum of the A1Π state. The individual rate coefficients were calculated from cross sections obtained up to 0.8 eV, which enabled us to calculate the rate coefficients up to 750 K. The cross section was also calculated for a one-state process within the Χ1 Σ+ state.Results. The nonadiabatic coupling enhances the formation of NaCl by radiative association by two orders of magnitude at about 30 K and by around one order of magnitude at about 750 K. The single-channel process starting in the continuum of the A1 Π state starts to contribute above around 200 K. The one-state transition model, within the Χ1Σ+ state, is not an adequate approximation for collisions in 1Σ+ symmetry. Instead, these collisions are treated in the diabatic representation in the total rate-coefficient calculation.Conclusions. The calculated total rate-coefficient function at 30–750 K can improve the astrochemical reaction networks for the CRL 2688, IRC+10216, and Orion SrcI environments, where NaCl was detected before.(Read More)
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