title: Rate constant calculations of the C2+ HCN → CCCN+H addition via the Master Equation.
abstract: The addition of C2to HCN is of relevant interest in astrochemistry. We studied the pathways of this addition to produce CCCN and estimated its reaction rate using the Master Equation in the circumstellar environment. From the results of this study, it was possible to show that a different pathway in the Surface Potential Energy-PES can also be investigated. In a circumstellar envelop environment, with temperatures varying between 1000 K and 2000 K, the abundances of these species are favorable to this kind of addition, and our branching ratio for the rate constant showed that the new pathway is more favorable in comparison with other possibilities for this range of temperatures in this environment, and must be taken into account in any computation of the rate constant. Graphical Abstract Branching ratios of pathways involved in the C2 + HCN → CCCN+H addition, at a temperature range of 1000-2000 K.
authors.affiliation: Departamento de Áreas Acadêmicas, Instituto Federal de Educação, Ciência e Tecnologia de Goiás Campus de Luziânia, Luziânia, GO, CEP 72811-580, Brazil. wassestf@gmail.com.
authors.forename: Washington Barbosa
authors.identifier: http://orcid.org/0000-0002-6373-9561
authors.initials: WB
authors.lastname: da Silva
authors.affiliation: Instituto de Física, Universidade de Brasília, Brasília, CP04455, Brasília, DF, CEP 70919-970, Brazil.
authors.forename: Alessandra F
authors.initials: AF
authors.lastname: Albernaz
authors.affiliation: Laboratório de Plasma-LAP, Instituto Nacional de Pesquisas Espaciais (INPE/MCT), CP515, São José dos Campos, SP, CEP 12247-970, Brazil.
authors.forename: Patricia R P
authors.initials: PR
authors.lastname: Barreto
authors.affiliation: Universidade de Brasília, Campus do Gama, Gama, Brasília, DF, CEP 72444-240, Brazil.
authors.forename: Eberth
authors.initials: E
authors.lastname: Correa
keywords: C2+HCN addition; Master equation; PES; Pathways; Rate constant