On the temperature dependence of the rate coefficient of formation of C2+ from C + CH+
Abstract
We carry out quasi-classical trajectory calculations for the C + CH+→ C_2^+ + H reaction on an ad hoc computed high-level ab initio potential energy surface. Thermal rate coefficients at the temperatures of relevance in cold interstellar clouds are derived and compared with the assumed, temperature-independent estimates publicly available in kinetic data bases KIDA and UDfA. For a temperature of 10 K the data base value overestimates by a factor of 2 the one obtained by us (thus improperly enhancing the destruction route of CH+ in astrochemical kinetic models) which is seen to double in the temperature range 5-300 K with a sharp increase in the first 50 K. The computed values are fitted via the popular Arrhenius-Kooij formula and best-fitting parameters α = 1.32 × 10-9 cm3 s-1, β = 0.1 and γ = 2.19 K to be included in the online mentioned data bases are provided. Further investigation shows that the temperature dependence of the thermal rate coefficient better conforms to the recently proposed so-called `deformed Arrhenius' law by Aquilanti and Mundim.
- Publication:
-
Monthly Notices of the Royal Astronomical Society
- Pub Date:
- August 2016
- DOI:
- 10.1093/mnras/stw1116
- Bibcode:
- 2016MNRAS.460.2368R
- Keywords:
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- astrochemistry;
- molecular data;
- molecular processes;
- ISM: molecules