Chemical modeling for predicting the abundances of certain aldimines and amines in hot cores

Abstract

We consider six isomeric groups (CH3N, CH5N, C2H5N, C2H7N, C3H7N and C3H9N) to review the presence of amines and aldimines within the interstellar medium (ISM). Each of these groups contains at least one aldimine or amine. Methanimine (CH2NH) from CH3N and methylamine (CH3NH2) from CH5N isomeric group were detected a few decades ago. Recently, the presence of ethanimine (CH3CHNH) from C2H5N isomeric group has been discovered in the ISM. This prompted us to investigate the possibility of detecting any aldimine or amine from the very next three isomeric groups in this sequence: C2H7N, C3H7N and C3H9N. We employ high-level quantum chemical calculations to estimate accurate energies of all the species. According to enthalpies of formation, optimized energies, and expected intensity ratio, we found that ethylamine (precursor of glycine) from C2H7N isomeric group, (1Z)-1-propanimine from C3H7N isomeric group, and trimethylamine from C3H9N isomeric group are the most viable candidates for the future astronomical detection. Based on our quantum chemical calculations and from other approximations (from prevailing similar types of reactions), a complete set of reaction pathways to the synthesis of ethylamine and (1Z)-1-propanimine is prepared. Moreover, a large gas-grain chemical model is employed to study the presence of these species in the ISM. Our modeling results suggest that ethylamine and (1Z)-1-propanimine could efficiently be formed in hot-core regions and could be observed with present astronomical facilities. Radiative transfer modeling is also implemented to additionally aid their discovery in interstellar space.

32 pages, 18 Figures, Accepted for publication in the Astrophysical Journal

References in corpus (19)

• Formation of methyl formate and other organic species in the warm-up phase of hot molecular cores
• Non-thermal desorption from interstellar dust grains via exothermic surface reactions
• Gas and grain chemical composition in cold cores as predicted by the Nautilus 3-phase model
• Exploring molecular complexity with ALMA (EMoCA): Alkanethiols and alkanols in Sagittarius B2(N2)
• The HNC/HCN Ratio in Star-Forming Regions
• Search for Interstellar monohydric Thiols
• Formation of water and methanol in star forming molecular clouds
• Systematic Theoretical Study on the Interstellar Carbon Chain Molecules
• Effects of Initial Condition and Cloud Density on the Composition of the Grain Mantle
• Effective grain surface area in the formation of molecular hydrogen in interstellar clouds
• Methyl Acetate and its singly deuterated isotopomers in the interstellar medium
• Deuterium enrichment of the interstellar grain mantle
• Deuterium Enrichment of the Interstellar Medium
• Time evolution of simple molecules during proto-star collapse
• Study of the chemical evolution and spectral signatures of some interstellar precursor molecules of adenine, glycine alanine
• The Possibility of Forming Propargyl Alcohol in the Interstellar Medium
• Search for Interstellar Adenine
• Monte Carlo simulation to investigate the formation of molecular hydrogen and its deuterated forms
• C5H9N Isomers: Pointers to Possible Branched Chain Interstellar Molecules

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