Theoretical Study of Propionitrile and Methylidyne Reaction in the Interstellar Medium

The results of the quantum chemical study of the reaction of propionitrile with methine radical at parameters characteristic of deep space are presented. The surface profile of the potential energy, including the most energetically favorable paths, is constructed, and reaction kinetic constants are...

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Bibliographic Details
Published in:Bulletin of the Lebedev Physics Institute 2022-12, Vol.49 (12), p.411-415
Main Authors: Krikunova, L. I., Nikolayev, A. A., Porfiriev, D. P., Mebel, A. M.
Format: Article
Language:English
Subjects:
Deep space
Interstellar chemistry
Interstellar matter
Methylidyne
Physics
Physics and Astronomy
Potential energy
Quantum chemistry
Reaction kinetics
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Summary:The results of the quantum chemical study of the reaction of propionitrile with methine radical at parameters characteristic of deep space are presented. The surface profile of the potential energy, including the most energetically favorable paths, is constructed, and reaction kinetic constants are calculated. The proposed mechanism predicts the formation of many cyclic and acyclic products with dominating linear molecules.
ISSN:1068-3356
1934-838X
DOI:10.3103/S1068335622120041