dc.contributor.author | Rampino, Sergio | |
dc.contributor.author | Pastore, Mariachiara | |
dc.contributor.author | García Para, Ernesto | |
dc.contributor.author | Pacifici, Leonardo | |
dc.contributor.author | Laganà, Antonio | |
dc.date.accessioned | 2016-06-24T15:03:07Z | |
dc.date.available | 2016-06-24T15:03:07Z | |
dc.date.issued | 2016-06-24 | |
dc.identifier.citation | Monthly Notices of the Royal Astronomical Society 460(3) : 2368–2375 (2016) | |
dc.identifier.uri | http://hdl.handle.net/10810/18495 | |
dc.description.abstract | [EN] We carry out quasi-classical trajectory caculations for theC + CH+ → C2+ + 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 databases KIDA and UDfA. For a temperature of 10 K the database value overestimates by a factor of two 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 X 10-9 cm3s-1, β = 0:10 and γ = 2:19 K to be included in the online mentioned databases 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. | en |
dc.language.iso | eng | es |
dc.rights | info:eu-repo/semantics/openAccess | es |
dc.subject | molecules | en |
dc.subject | astrochemistry | en |
dc.subject | molecular data | en |
dc.subject | molecular processes | en |
dc.title | On the temperature dependence of the rate coefficient of formation of C2+ from C + CH+ | en |
dc.type | info:eu-repo/semantics/preprint | es |
dc.rights.holder | © 2015 The Authors | es |
dc.identifier.doi | 10.1093/mnras/stw1116 | |
dc.departamentoes | Química física | es_ES |
dc.departamentoeu | Kimika fisikoa | es_ES |