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dc.contributor.author
Blanco, Maria Belen
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dc.contributor.author
Barnes, Ian
dc.contributor.author
Wiesen, Peter
dc.date.available
2018-10-16T15:27:02Z
dc.date.issued
2012-06
dc.identifier.citation
Blanco, Maria Belen; Barnes, Ian; Wiesen, Peter; Kinetic investigation of the OH radical and Cl atom initiated degradation of unsaturated ketones at atmospheric pressure and 298 K; American Chemical Society; Journal of Physical Chemistry A; 116; 24; 6-2012; 6033-6040
dc.identifier.issn
1089-5639
dc.identifier.uri
http://hdl.handle.net/11336/62410
dc.description.abstract
Rate coefficients for the reactions of hydroxyl radicals and chlorine atoms with 4-hexen-3-one, 5-hexen-2-one, and 3-penten-2-one have been determined at 298 ± 2 K and atmospheric pressure of air. Rate coefficients for the compounds were determined using a relative kinetic technique with different reference compounds. The experiments were performed in a large photoreactor (480 L) using in situ FTIR spectroscopy to monitor the decay of reactants. From the different measurements the following rate coefficients (in units of cm 3 molecule -1 s -1) have been determined: k 1(OH + 4-hexen-3-one) = (9.04 ± 2.12) × 10 -11, k 2(OH + 5-hexen-2-one) = (5.18 ± 1.27) × 10 -11, k 3(OH + 3-penten-2-one) = (7.22 ± 1.74) × 10 -11, k 4(Cl + 4-hexen-3-one) = (3.00 ± 0.58) × 10 -10, k 5(Cl + 5-hexen-2-one) = (3.15 ± 0.50) × 10 -10 and k 6(Cl + 3-penten-2-one) = (2.53 ± 0.54) × 10 -10. The reactivity of the double bond in alkenes and unsaturated ketones at 298 K toward addition of OH radicals and Cl atoms are compared and discussed. In addition, a correlation between the reactivity of the unsaturated ketones toward OH radicals and the HOMO of the compounds is presented. On the basis of the kinetic measurements, the tropospheric lifetimes of 4-hexen-3-one, 5-hexen-2-one, and 3-penten-2-one with respect to their reaction with hydroxyl radicals are estimated to be between 2 and 3 h. © 2012 American Chemical Society.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Chemical Society
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Unsaturated Ketones
dc.subject
Oh Radicals
dc.subject
Cl Atoms
dc.subject.classification
Otras Ciencias Químicas
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
Kinetic investigation of the OH radical and Cl atom initiated degradation of unsaturated ketones at atmospheric pressure and 298 K
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-09-18T16:17:19Z
dc.journal.volume
116
dc.journal.number
24
dc.journal.pagination
6033-6040
dc.journal.pais
Estados Unidos
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dc.journal.ciudad
Washington
dc.description.fil
Fil: Blanco, Maria Belen. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina. Bergische Universität Wuppertal; Alemania
dc.description.fil
Fil: Barnes, Ian. Bergische Universität Wuppertal; Alemania
dc.description.fil
Fil: Wiesen, Peter. Bergische Universität Wuppertal; Alemania
dc.journal.title
Journal of Physical Chemistry A
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://dx.doi.org/10.1021/jp2109972
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jp2109972
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