Rate Coefficient for the Reaction of Cl Atoms with cis-3-Hexene at 296 ± 2 K
Autor(a) principal: | |
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Data de Publicação: | 2017 |
Outros Autores: | , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Journal of the Brazilian Chemical Society (Online) |
Texto Completo: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532017001102267 |
Resumo: | The rate coefficient of the cis-3-hexene + Cl atoms reaction at 296 ± 2 K and 750 ± 10 Torr was determined using the relative rate technique. The reaction was investigated using an 80 L Teflon reaction bag and a gas chromatograph coupled with flame-ionization detection. Chlorine atoms were produced by the photolysis of trichloroacetyl chloride. No previous experimental data was available in the literature, to the best of our knowledge. The mean second-order rate coefficient value found was (4.13 ± 0.51) × 10-10 cm3 molecule-1 s-1. The experimental value agrees with the rate coefficient estimated by structure-reactivity analysis, 4.27 × 10-10 cm3 molecule-1 s-1. Moreover, both addition and hydrogen abstraction channels contribute to the global kinetics, with branching ratios 70:30. Effective lifetime with respect to Cl atoms is predicted as 67.2 hours; however, the cis-3-hexene + Cl channel is suggested to be non-negligible at atmospheric conditions. Other atmospheric implications are discussed. |
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Rate Coefficient for the Reaction of Cl Atoms with cis-3-Hexene at 296 ± 2 Kcis-3-hexene + Cl atomsrate coefficientexperimental relative rate methodThe rate coefficient of the cis-3-hexene + Cl atoms reaction at 296 ± 2 K and 750 ± 10 Torr was determined using the relative rate technique. The reaction was investigated using an 80 L Teflon reaction bag and a gas chromatograph coupled with flame-ionization detection. Chlorine atoms were produced by the photolysis of trichloroacetyl chloride. No previous experimental data was available in the literature, to the best of our knowledge. The mean second-order rate coefficient value found was (4.13 ± 0.51) × 10-10 cm3 molecule-1 s-1. The experimental value agrees with the rate coefficient estimated by structure-reactivity analysis, 4.27 × 10-10 cm3 molecule-1 s-1. Moreover, both addition and hydrogen abstraction channels contribute to the global kinetics, with branching ratios 70:30. Effective lifetime with respect to Cl atoms is predicted as 67.2 hours; however, the cis-3-hexene + Cl channel is suggested to be non-negligible at atmospheric conditions. Other atmospheric implications are discussed.Sociedade Brasileira de Química2017-11-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532017001102267Journal of the Brazilian Chemical Society v.28 n.11 2017reponame:Journal of the Brazilian Chemical Society (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.21577/0103-5053.20170078info:eu-repo/semantics/openAccessBarbosa,Thaís S.Barrera,Javier A.Toro,Rafael JaraBauerfeldt,Glauco F.Arbilla,GracielaLane,Silvia I.eng2017-10-26T00:00:00Zoai:scielo:S0103-50532017001102267Revistahttp://jbcs.sbq.org.brONGhttps://old.scielo.br/oai/scielo-oai.php||office@jbcs.sbq.org.br1678-47900103-5053opendoar:2017-10-26T00:00Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)false |
dc.title.none.fl_str_mv |
Rate Coefficient for the Reaction of Cl Atoms with cis-3-Hexene at 296 ± 2 K |
title |
Rate Coefficient for the Reaction of Cl Atoms with cis-3-Hexene at 296 ± 2 K |
spellingShingle |
Rate Coefficient for the Reaction of Cl Atoms with cis-3-Hexene at 296 ± 2 K Barbosa,Thaís S. cis-3-hexene + Cl atoms rate coefficient experimental relative rate method |
title_short |
Rate Coefficient for the Reaction of Cl Atoms with cis-3-Hexene at 296 ± 2 K |
title_full |
Rate Coefficient for the Reaction of Cl Atoms with cis-3-Hexene at 296 ± 2 K |
title_fullStr |
Rate Coefficient for the Reaction of Cl Atoms with cis-3-Hexene at 296 ± 2 K |
title_full_unstemmed |
Rate Coefficient for the Reaction of Cl Atoms with cis-3-Hexene at 296 ± 2 K |
title_sort |
Rate Coefficient for the Reaction of Cl Atoms with cis-3-Hexene at 296 ± 2 K |
author |
Barbosa,Thaís S. |
author_facet |
Barbosa,Thaís S. Barrera,Javier A. Toro,Rafael Jara Bauerfeldt,Glauco F. Arbilla,Graciela Lane,Silvia I. |
author_role |
author |
author2 |
Barrera,Javier A. Toro,Rafael Jara Bauerfeldt,Glauco F. Arbilla,Graciela Lane,Silvia I. |
author2_role |
author author author author author |
dc.contributor.author.fl_str_mv |
Barbosa,Thaís S. Barrera,Javier A. Toro,Rafael Jara Bauerfeldt,Glauco F. Arbilla,Graciela Lane,Silvia I. |
dc.subject.por.fl_str_mv |
cis-3-hexene + Cl atoms rate coefficient experimental relative rate method |
topic |
cis-3-hexene + Cl atoms rate coefficient experimental relative rate method |
description |
The rate coefficient of the cis-3-hexene + Cl atoms reaction at 296 ± 2 K and 750 ± 10 Torr was determined using the relative rate technique. The reaction was investigated using an 80 L Teflon reaction bag and a gas chromatograph coupled with flame-ionization detection. Chlorine atoms were produced by the photolysis of trichloroacetyl chloride. No previous experimental data was available in the literature, to the best of our knowledge. The mean second-order rate coefficient value found was (4.13 ± 0.51) × 10-10 cm3 molecule-1 s-1. The experimental value agrees with the rate coefficient estimated by structure-reactivity analysis, 4.27 × 10-10 cm3 molecule-1 s-1. Moreover, both addition and hydrogen abstraction channels contribute to the global kinetics, with branching ratios 70:30. Effective lifetime with respect to Cl atoms is predicted as 67.2 hours; however, the cis-3-hexene + Cl channel is suggested to be non-negligible at atmospheric conditions. Other atmospheric implications are discussed. |
publishDate |
2017 |
dc.date.none.fl_str_mv |
2017-11-01 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532017001102267 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532017001102267 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
10.21577/0103-5053.20170078 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
text/html |
dc.publisher.none.fl_str_mv |
Sociedade Brasileira de Química |
publisher.none.fl_str_mv |
Sociedade Brasileira de Química |
dc.source.none.fl_str_mv |
Journal of the Brazilian Chemical Society v.28 n.11 2017 reponame:Journal of the Brazilian Chemical Society (Online) instname:Sociedade Brasileira de Química (SBQ) instacron:SBQ |
instname_str |
Sociedade Brasileira de Química (SBQ) |
instacron_str |
SBQ |
institution |
SBQ |
reponame_str |
Journal of the Brazilian Chemical Society (Online) |
collection |
Journal of the Brazilian Chemical Society (Online) |
repository.name.fl_str_mv |
Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ) |
repository.mail.fl_str_mv |
||office@jbcs.sbq.org.br |
_version_ |
1750318180040966144 |