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Title: Peptide bond formation through gas-phase reactions in the interstellar medium: formamide and acetamide as prototypes

A theoretical study of the reactions of NH{sub 4}{sup +} with formaldehyde and CH{sub 5}{sup +} with formamide is carried out. The viability of these gas-phase ion-molecule reactions as possible sources of formamide and acetamide under the conditions of interstellar medium is evaluated. We report a theoretical estimation of the reaction enthalpies and an analysis of their potential energy surfaces. Formation of protonated formamide from the reaction between ammonium cation and formaldehyde is an exothermic process, but all the channels located on the potential energy surface leading to this product present net activation energies. For the reaction between methanium and formamide, different products are possible from a thermodynamic point of view. An analysis of its potential energy surface showed that formation of protonated acetamide and amino acetaldehyde takes place through barrier-free paths. Therefore, this reaction could be a feasible source of acetamide and amino acetaldehyde in space.
Authors:
; ;  [1]
  1. Computational Chemistry Group, Departamento de Química Física, Facultad de Ciencias, Universidad de Valladolid, E-47011 Valladolid (Spain)
Publication Date:
OSTI Identifier:
22365033
Resource Type:
Journal Article
Resource Relation:
Journal Name: Astrophysical Journal; Journal Volume: 793; Journal Issue: 1; Other Information: Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
79 ASTROPHYSICS, COSMOLOGY AND ASTRONOMY; ACETALDEHYDE; ACETAMIDE; ASTROPHYSICS; COSMIC GASES; COSMOLOGY; DIFFUSION BARRIERS; ELEMENT ABUNDANCE; FORMALDEHYDE; FORMAMIDE; INTERSTELLAR SPACE; MOLECULES; PEPTIDES; SPACE; STAR EVOLUTION