![]() ![]() Yu, “Herschel observations of extraordinary sources: analysis of the full herschel/hifi molecular line survey of sagittarius B2(N),” The Astrophysical Journal 789(1), 8 (2014).ġ1. Wiebe, “Organic compounds in star forming regions,” Origins of Life and Evolution of the Biospheres 44(3), 169–174 (2014).ġ0. Galvan´-Madrid, “Сhemical diagnostics of the massive star cluster-forming cloud G33.92+0.11. The gas in the PDR and in the dense cores,” Astronomy & Astrophysics 608, A133 (2017).Ĩ. ![]() Liseau, “Gas and dust in the star-forming region ρ Oph A – II. Li, “CH as a molecular gas tracer and c-shock tracer across a molecular cloud boundary in Taurus,” The Astrophysical Journal 833(1), 90 (2016).Ħ. Wyrowski, “Unveiling the chemistry of interstellar CH-Spectroscopy of the 2 THz N= 2←1 ground state line,” Astronomy & Astrophysics 612, A37 (2018).ĥ. Romanzin, “Methane photochemistry: A brief review in the frame of a new experimental program of Titan’s atmosphere simulations,” Advances in Space Research 36(2), 258–267 (2005).Ĥ. XANES study of laboratory analogs of titan tholins,” Icarus 376, 114841 (2022).ģ. Kilcoyne, “The Titan haze simulation (THS) experiment on COSmIC. Ohishi, “Search for complex organic molecules in space,” Journal of Physics: Conference Series 728(5), 052002 (2016).Ģ. Mechanism identified emphasizes importance of the CH+HCN reaction as an important supplier of the initial bricks for building heterocyclic hydrocarbons in extreme environments.ġ. Those results were utilized in Rice−Ramsperger−Kassel−Marcus calculations of the product branching ratios at the zero pressure limit – common approach in modelling of the cold molecular clouds chemistry. Analysis of the found energies, structural and kinetic characteristics of the involved compounds allowed us to determine the reaction paths leading to the formation of linear and cyclic intermediates, as well as to the formation of atomic and molecular hydrogen. The calculated values then were used for extrapolation to the complete basis set (CBS) limit using the two-point expression E( CBS) = E 1 + 0.69377 × ( E 1 – E 2). Geometries and potential energies of reactants, products, intermediates and transition states (TS) for the reaction were found by means of ab initio quantum chemical method ωB97xd/cc-pVTZ and the higher-level corrections were evaluated at the CCSD(T)-F12 level of theory with the cc-pVQZ-f12 ( E 1) and cc-pVTZ-f12 ( E 2) basis sets. The reaction of the methylidyne (CH X 2Π) radical with hydrogen cyanide (HCN X 1∑) molecule was studied at a collision energy of 4.0 kJ/mol with ab initio calculations of the potential energy surface (PES). ![]()
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