HNCO-based synthesis of formamide in planetary atmospheres

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F18%3A00495088" target="_blank" >RIV/61388955:_____/18:00495088 - isvavai.cz</a>

Alternative codes found

RIV/68081707:_____/18:00495088 RIV/00216208:11310/18:10387197

Result on the web

<a href="http://dx.doi.org/10.1051/0004-6361/201833003" target="_blank" >http://dx.doi.org/10.1051/0004-6361/201833003</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1051/0004-6361/201833003" target="_blank" >10.1051/0004-6361/201833003</a>

Result language

angličtina

Original language name

HNCO-based synthesis of formamide in planetary atmospheres

Original language description

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 + H-2> HCONH2 which, moreover, spontaneously takes place in unbiased ab initio molecular dynamics simulations carried out under the effect of intense electric fields.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10403 - Physical chemistry

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2018

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Astronomy & Astrophysics

ISSN

1432-0746

e-ISSN

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Volume of the periodical

616

Issue of the periodical within the volume

SEP 5 2018

Country of publishing house

FR - FRANCE

Number of pages

11

Pages from-to

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UT code for WoS article

000444015000001

EID of the result in the Scopus database

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