HNCO-based synthesis of formamide in planetary atmospheres

0578990 - FZÚ 2024 RIV FR eng J - Journal Article
Ferus, M. - Laitl, V. - Knížek, A. - Kubelík, Petr - Šponer, J. - Kára, J. - Šponer, J.E. - Lefloch, B. - Cassone, G. - Civiš, S.
HNCO-based synthesis of formamide in planetary atmospheres.
Astronomy & Astrophysics. Roč. 616, Sept (2018), č. článku A150. ISSN 0004-6361. E-ISSN 1432-0746
R&D Projects: GA ČR GA17-05076S
Institutional support: RVO:68378271
Keywords : astrochemistry * astrobiology * planets and satellites: atmospheres * ISM: molecules
OECD category: Fluids and plasma physics (including surface physics)
Impact factor: 6.209, year: 2018
Method of publishing: Limited access
https://doi.org/10.1051/0004-6361/201833003

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.
Permanent Link: https://hdl.handle.net/11104/0347875