Falloff curves and mechanism of thermal decomposition of CF₃I in shock waves

The falloff curves of the unimolecular dissociation CF₃I (+Ar) → CF₃ + I (+Ar) are modelled by combining quantum-chemical characterizations of the potential energy surface for the reaction, standard unimolecular rate theory, and experimental information on the average energy transferred per collisio...

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Autores principales: Cobos, Carlos Jorge, Sölter, L., Tellbach, E., Troe, J.
Formato: Articulo
Lenguaje:Inglés
Publicado: 2019
Materias:
Física
Química
Falloff curves
Unimolecular dissociation
Decomposition mechanism
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/138272
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-138272
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Física
Química
Falloff curves
Unimolecular dissociation
Decomposition mechanism
spellingShingle Física
Química
Falloff curves
Unimolecular dissociation
Decomposition mechanism
Cobos, Carlos Jorge
Sölter, L.
Tellbach, E.
Troe, J.
Falloff curves and mechanism of thermal decomposition of CF₃I in shock waves
topic_facet Física
Química
Falloff curves
Unimolecular dissociation
Decomposition mechanism
description The falloff curves of the unimolecular dissociation CF₃I (+Ar) → CF₃ + I (+Ar) are modelled by combining quantum-chemical characterizations of the potential energy surface for the reaction, standard unimolecular rate theory, and experimental information on the average energy transferred per collision between excited CF₃I and Ar. The (essentially) parameter-free theoretical modelling gives results in satisfactory agreement with data deduced from earlier shock wave experiments employing a variety of reactant concentrations (between a few ppm and a few percent in the bath gas Ar). New experiments recording absorption-time signals of CF₃I, I₂, CF₂ and (possibly) IF at 450-500 and 200-300 nm are reported. By analysing the decomposition mechanism, besides the unimolecular dissociation of CF₃I, these provide insight into the influence of secondary reactions on the experimental observations.
format Articulo
Articulo
author Cobos, Carlos Jorge
Sölter, L.
Tellbach, E.
Troe, J.
author_facet Cobos, Carlos Jorge
Sölter, L.
Tellbach, E.
Troe, J.
author_sort Cobos, Carlos Jorge
title Falloff curves and mechanism of thermal decomposition of CF₃I in shock waves
title_short Falloff curves and mechanism of thermal decomposition of CF₃I in shock waves
title_full Falloff curves and mechanism of thermal decomposition of CF₃I in shock waves
title_fullStr Falloff curves and mechanism of thermal decomposition of CF₃I in shock waves
title_full_unstemmed Falloff curves and mechanism of thermal decomposition of CF₃I in shock waves
title_sort falloff curves and mechanism of thermal decomposition of cf₃i in shock waves
publishDate 2019
url http://sedici.unlp.edu.ar/handle/10915/138272
work_keys_str_mv AT coboscarlosjorge falloffcurvesandmechanismofthermaldecompositionofcf3iinshockwaves
AT solterl falloffcurvesandmechanismofthermaldecompositionofcf3iinshockwaves
AT tellbache falloffcurvesandmechanismofthermaldecompositionofcf3iinshockwaves
AT troej falloffcurvesandmechanismofthermaldecompositionofcf3iinshockwaves
bdutipo_str Repositorios
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