Gas-phase formation of glycolonitrile in the interstellar medium

Abstract

Our automated reaction discovery program, AutoMeKin, has been utilized to investigate the formation of glycolonitrile (HOCH$_{2}$CN) in the gas phase under the low temperatures of the interstellar medium (ISM). The feasibility of a proposed pathway depends on the absence of barriers above the energy of reactants and the availability of the suggested precursors in the ISM. Based on these criteria, several radical-radical reactions and a radical-molecule reaction have been identified as viable formation routes in the ISM. Among the radical-radical reactions, OH+CH$_{2}$CN appears to be the most relevant, considering the energy of the radicals and its ability to produce glycolonitrile in a single step. However, our analysis reveals that this reaction produces hydrogen isocyanide (HNC) and formaldehyde (CH$_{2}$O), with rate coefficients ranging from (7.3-11.5)$\times$10$^{-10}$ cm$^3$ molecule$^{-1}$ s$^{-1}$ across the temperature range of 10-150 K. This finding is particularly interesing given the persistently unexplained overabundance of hydrogen isocyanide in the ISM. Among the radical-molecule reactions investigated, the most promising one is OH+CH$_{2}$CNH, which forms glycolonitrile and atomic hydrogen with rate coefficients in the range (0.3-6.6)$\times$10$^{-10}$ cm$^3$ molecule$^{-1}$ s$^{-1}$ within the 10-150 K temperature range. Our calculations indicate that the formation of both hydrogen isocyanide and glycolonitrile is efficient under the harsh conditions of the ISM