J/A+A/616/A150ivo://CDS.VizieR/J/A+A/616/A150doi:10.26093/cds/vizier.36160150CDSFerus M.Laitl V.Knizek A.Kubelik P.Sponer J.Kara J.Sponer J.E.,Lefloch B.Cassone G.Civis S.2018-09-10T07:56:42Z2018-09-05T07:28:29ZCDS support team

CDS, Observatoire de Strasbourg, 11 rue de l'Universite, F-67000 Strasbourg, France

cds-question@unistra.frastronomical-modelsstellar-atmospheresspectroscopyultraviolet-astronomyvisible-astronomyinfrared-astronomyTime-resolved Fourier transform infrared emission spectroscopy, Fourier transform absorption infrared spectroscopy, and high-resolution UV-ViS emission spectroscopy have been exploited in order 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 (HCONH_2_), 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 state-of-the-art 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, also the experimental results - supplied by a simplified kinetic model - proved the favorability of the reaction HNCO + H_2_ -> HCONH_2_ which, moreover, spontaneously takes place in unbiased ab initio Molecular Dynamics simulations carried out under the effect of intense electric fields.2018A&A...616A.150Fhttps://cdsarc.cds.unistra.fr/viz-bin/cat/J/A+A/616/A150CatalogResearchIsServedByTAP VizieR generic servicerelated-toJ/A+A/361/1079 : HNCO in massive galactic dense cores (Zinchenko, 2000)J/PAZh/33/143 : Laboratory studies of HNCO (Lapinov+, 2007)https://cds.unistra.fr/vizier-org/licences_vizier.htmlhttps://vizier.cds.unistra.fr/viz-bin/VizieR-2?-source=J/A+A/616/A150https://vizier.iucaa.in/viz-bin/VizieR-2?-source=J/A+A/616/A150http://vizieridia.saao.ac.za/viz-bin/VizieR-2?-source=J/A+A/616/A150https://vizier.cds.unistra.fr/viz-bin/votable?-source=J/A+A/616/A150https://vizier.iucaa.in/viz-bin/votable?-source=J/A+A/616/A150http://vizieridia.saao.ac.za/viz-bin/votable?-source=J/A+A/616/A150GETtext/xml+votablehttps://tapvizier.cds.unistra.fr/TAPVizieR/tapUVOpticalInfrareddefaultJ/A+A/616/A150/fig2aAbsorption spectra of the discharge products formed in HNCO + HelambdaWavelengthnmem.wldoublerecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintTransTransmittance (1)spect.line.intensity;arith.ratiodoubleJ/A+A/616/A150/fig2bAbsorption spectra of the discharge products formed in HNCO + H_2_recnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintlambdaWavelengthnmem.wldoubleTransTransmittance (1)spect.line.intensity;arith.ratiodoubleJ/A+A/616/A150/fig2bdFormamide carbonyl v4 band observed in 10 ppm of vapors formamide vaporsrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintlambdaWavelengthnmem.wldoubleTransTransmittance (1)spect.line.intensity;arith.ratiodoubleJ/A+A/616/A150/fig2cAbsorption spectra of the discharge products formed in HNCO + NH_3_recnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintlambdaWavelengthnmem.wldoubleTransTransmittance (1)spect.line.intensity;arith.ratiodoubleJ/A+A/616/A150/fig3UV-Vis emission spectra of the glow discharge in mixture of HNCO with hydrogenrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintlambdaWavelengthnmem.wlfloatIntEmission intensity in arbitrary unitsspect.line.intensityfloat