Literature DB >> 29082409

Low temperature kinetics and theoretical studies of the reaction CN + CH3NH2: a potential source of cyanamide and methyl cyanamide in the interstellar medium.

Chantal Sleiman1, Gisèle El Dib, Marzio Rosi, Dimitrios Skouteris, Nadia Balucani, André Canosa.   

Abstract

The reaction between cyano radicals (which are ubiquitous in interstellar clouds) and methylamine (a molecule detected in various interstellar sources) has been investigated in a synergistic experimental and theoretical study. The reaction has been found to be very fast in the entire range of temperatures investigated (23-297 K) by using a CRESU apparatus coupled to pulsed laser photolysis - laser induced fluorescence. The global experimental rate coefficient is given by In addition, dedicated electronic structure calculations of the underlying potential energy surface have been performed, together with capture theory and RRKM calculations. The experimental data have been interpreted in the light of the theoretical calculations and the product branching ratio has been established. According to the present study, in the range of temperatures investigated the title reaction is an efficient interstellar route of formation of cyanamide, NH2CN, another interstellar species. The second most important channel is the one leading to methyl cyanamide, CH3NHCN (an isomer of aminoacetonitrile), via a CN/H exchange mechanism with a yield of 12% of the global reaction in the entire range of temperatures explored. For a possible inclusion in future astrochemical models we suggest, by referring to the usual expression the following values: α = 3.68 × 10-12 cm3 molec-1 s-1, β = -1.80, γ = 7.79 K for the channel leading to NH2CN + CH3; α = 5.05 × 10-13 cm3 molec-1 s-1, β = -1.82, γ = 7.93 K for the channel leading to CH3NHCN + H.

Entities:  

Year:  2018        PMID: 29082409     DOI: 10.1039/c7cp05746f

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  4 in total

1.  Unsaturated Dinitriles Formation Routes in Extraterrestrial Environments: A Combined Experimental and Theoretical Investigation of the Reaction between Cyano Radicals and Cyanoethene (C2H3CN).

Authors:  Demian Marchione; Luca Mancini; Pengxiao Liang; Gianmarco Vanuzzo; Fernando Pirani; Dimitrios Skouteris; Marzio Rosi; Piergiorgio Casavecchia; Nadia Balucani
Journal:  J Phys Chem A       Date:  2022-05-31       Impact factor: 2.944

2.  Semiempirical Potential in Kinetics Calculations on the HC3N + CN Reaction.

Authors:  Emília Valença Ferreira de Aragão; Luca Mancini; Noelia Faginas-Lago; Marzio Rosi; Dimitrios Skouteris; Fernando Pirani
Journal:  Molecules       Date:  2022-04-01       Impact factor: 4.411

3.  The N(2D) + CH2CHCN (Vinyl Cyanide) Reaction: A Combined Crossed Molecular Beam and Theoretical Study and Implications for the Atmosphere of Titan.

Authors:  Gianmarco Vanuzzo; Demian Marchione; Luca Mancini; Pengxiao Liang; Giacomo Pannacci; Pedro Recio; Yuxin Tan; Marzio Rosi; Dimitrios Skouteris; Piergiorgio Casavecchia; Nadia Balucani
Journal:  J Phys Chem A       Date:  2022-09-02       Impact factor: 2.944

Review 4.  Prebiotic Nucleoside Synthesis: The Selectivity of Simplicity.

Authors:  Florian M Kruse; Jennifer S Teichert; Oliver Trapp
Journal:  Chemistry       Date:  2020-09-17       Impact factor: 5.020

  4 in total

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