Synthesis of formamide and related organic species in the interstellar medium via chemical dynamics simulations

Journal Article · Mon Aug 01 04:00:00 EDT 2016 · Astrophysical Journal

DOI:https://doi.org/10.3847/0004-637X/826/2/107· OSTI ID:22868865

Spezia, Riccardo; Jeanvoine, Yannick ^[1]; Hase, William L. ^[2]; Song, Kihyung ^[3]; Largo, Antonio ^[4]

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1. CNRS, Laboratoire Analyse et Modélisation pour la Biologie et l’Environnement, UMR 8587, Université d’Evry-Val-d’Essonne, Evry (France)
2. Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, TX 79409 (United States)
3. Department of Chemistry, Korea National University of Education, Chungbuk (Korea, Republic of)
4. Computational Chemistry Group, Departamento de Quimica Fisica, Facultad de Ciencias, Universidad de Valladolid, Valladolid (Spain)

We show, by means of direct dynamics simulations, how it is possible to define possible reactants and mechanisms leading to the formation of formamide in the interstellar medium. In particular, different ion–molecule reactions in the gas phase were considered: NH{sub 3}OH{sup +}, NH{sub 2}OH{sub 2}{sup +}, H{sub 2}COH{sup +}, and NH{sub 4} {sup +} for the ions and NH{sub 2}OH, H{sub 2}CO, and NH{sub 3} for the partner neutrals. These calculations were combined with high level ab initio calculations to investigate possible further evolution of the products observed. In particular, for formamide, we propose that the NH{sub 2}OH{sub 2}{sup +} + H{sub 2}CO reaction can produce an isomer, NH{sub 2}OCH{sub 2}{sup +}, that, after dissociative recombination, can produce neutral formamide, which was observed in space. The direct dynamics do not pre-impose any reaction pathways and in other reactions, we did not observe the formation of formamide or any possible precursor. On the other hand, we obtained other interesting reactions, like the formation of NH{sub 2}CH{sub 2}{sup +}. Finally, some radiative association processes are proposed. All of the results obtained are discussed in light of the species observed in radioastronomy.

• OSTI ID: 22868865
• Journal Information: Astrophysical Journal, Journal Name: Astrophysical Journal Journal Issue: 2 Vol. 826; ISSN ASJOAB; ISSN 0004-637X
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
79 ASTRONOMY AND ASTROPHYSICS
AMMONIA
COMPUTERIZED SIMULATION
FORMAMIDE
INORGANIC COMPOUNDS
INTERSTELLAR SPACE
ISOMERS
MOLECULES
RADIOASTRONOMY
RECOMBINATION