HNCO-based synthesis of formamide in planetary atmospheres

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F18%3A00578990" target="_blank" >RIV/68378271:_____/18:00578990 - isvavai.cz</a>

Výsledek na webu

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

Jazyk výsledku

angličtina

Název v původním jazyce

HNCO-based synthesis of formamide in planetary atmospheres

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

HNCO-based synthesis of formamide in planetary atmospheres

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10305 - Fluids and plasma physics (including surface physics)

Projekt

<a href="/cs/project/GA17-05076S" target="_blank" >GA17-05076S: Vznik života na Zemi a ve vesmíru - experiment a teorie</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2018

Kód důvěrnosti údajů

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

Název periodika

Astronomy & Astrophysics

ISSN

0004-6361

e-ISSN

1432-0746

Svazek periodika

616

Číslo periodika v rámci svazku

Sept

Stát vydavatele periodika

FR - Francouzská republika

Počet stran výsledku

11

Strana od-do

A150

Kód UT WoS článku

000444015000001

EID výsledku v databázi Scopus

2-s2.0-85053559383