Service interruption on Monday 11 July from 12:30 to 13:00: all the sites of the CCSD (HAL, EpiSciences, SciencesConf, AureHAL) will be inaccessible (network hardware connection).
Skip to Main content Skip to Navigation
Journal articles

HNCO-based synthesis of formamide in planetary atmospheres

Abstract : Time-resolved Fourier transform infrared emission spectroscopy, Fourier transform absorption infrared spectroscopy, and high-resolution UV-ViS emission spectroscopy have been used to characterize the chemistry of isocyanic acid (HNCO) under glow discharge conditions in planetary atmospheres. HNCO mixtures (i.e., composed of di-hydrogen or ammonia) have been investigated in order to unveil the possible reaction pathways leading to the synthesis of the key prebiotic molecule formamide (HCONH2), upon planetary atmospheres containing isocyanic acid in presence of di-hydrogen and, separately, of ammonia. In addition, ab initio molecular dynamics simulations coupled with a modern metadynamics technique have been performed in order to identify the most likely chemical pathways connecting HNCO to formamide. It turned out that the direct hydrogenation of HNCO is thermodynamically favored. Incidentally, the experimental results - supplied by a simplified kinetic model - also proved the favorability of the reaction HNCO + H2 → HCONH2 which, moreover, spontaneously takes place in unbiased ab initio molecular dynamics simulations carried out under the effect of intense electric fields.

Data associated to Figs. 2 and 3 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/616/A150

Complete list of metadata

https://hal-insu.archives-ouvertes.fr/insu-03693540
Contributor : Nathalie POTHIER Connect in order to contact the contributor
Submitted on : Monday, June 13, 2022 - 4:50:59 PM
Last modification on : Saturday, June 25, 2022 - 3:06:15 AM

File

aa33003-18.pdf
Publisher files allowed on an open archive

Identifiers

Collections

Citation

M. Ferus, V. Laitl, A. Knizek, P. Kubelík, J. Kára, et al.. HNCO-based synthesis of formamide in planetary atmospheres. Astronomy & Astrophysics, 2018, 616, ⟨10.1051/0004-6361/201833003⟩. ⟨insu-03693540⟩

Share

Metrics

Record views

0

Files downloads

0