Mostrar el registro sencillo del ítem
dc.contributor.author
Dillon, Terry J.
dc.contributor.author
Tucceri, Maria Eugenia
dc.contributor.author
Dulitz, Katrin
dc.contributor.author
Horowitz, Abraham
dc.contributor.author
Vereecken, Luc
dc.contributor.author
Crowley, John N.
dc.date.available
2016-04-15T15:26:32Z
dc.date.issued
2012-01
dc.identifier.citation
Dillon, Terry J.; Tucceri, Maria Eugenia; Dulitz, Katrin; Horowitz, Abraham; Vereecken, Luc; et al.; Reaction of Hydroxyl Radicals with C4H5N (Pyrrole): Temperature and Pressure Dependent Rate Coefficients; American Chemical Society; Journal Of Physical Chemistry A; 116; 24; 1-2012; 6051-6058
dc.identifier.issn
1089-5639
dc.identifier.uri
http://hdl.handle.net/11336/5225
dc.description.abstract
Absolute (pulsed laser photolysis, 4−639 Torr N2 or air, 240−357 K) and relative rate methods (50 and 760 Torr air, 296 K) were used to measure rate coefficients k1 for the title reaction, OH +C4H5N → products (R1). Although the pressure and temperature dependent rate coefficient is adequately represented by a falloff parametrization, calculations of the potential energy surface indicate a complex reaction system with multiple reaction paths (addition only) in the falloff regime. At 298 K and 760 Torr (1 Torr = 1.33 mbar) the rate coefficient obtained from the parametrization is k1 = (1.28 ± 0.1) × 10−10 cm3 molecule−1 s−1, in good agreement with the value of (1.10 ± 0.27) × 10−10 cm3 molecule−1 s−1 obtained in the relative rate study (relative to C5H8, isoprene) at this temperature and pressure. The accuracy of the absolute rate coefficient determination was enhanced by online optical absorption measurements of the C4H5N concentration at 184.95 nm using a value σ184.95nm = (1.26 ± 0.02) × 10−17 cm2 molecule−1, which was determined in this work.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Chemical Society
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Chemical Kinetics
dc.subject
Oh
dc.subject
Pyrrole
dc.subject.classification
Físico-Química, Ciencia de los Polímeros, Electroquímica
dc.subject.classification
Ciencias Químicas
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
dc.title
Reaction of Hydroxyl Radicals with C4H5N (Pyrrole): Temperature and Pressure Dependent Rate Coefficients
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2016-05-06 15:52:43.262787-03
dc.journal.volume
116
dc.journal.number
24
dc.journal.pagination
6051-6058
dc.journal.pais
Estados Unidos
dc.journal.ciudad
Washington
dc.description.fil
Fil: Dillon, Terry J.. Max-Planck-Institut für Chemie; Alemania
dc.description.fil
Fil: Tucceri, Maria Eugenia. Max-Planck-Institut für Chemie; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
dc.description.fil
Fil: Dulitz, Katrin. Max-Planck-Institut für Chemie; Alemania
dc.description.fil
Fil: Horowitz, Abraham. Max-Planck-Institut für Chemie; Alemania
dc.description.fil
Fil: Vereecken, Luc. Max-Planck-Institut für Chemie; Alemania
dc.description.fil
Fil: Crowley, John N.. Max-Planck-Institut für Chemie; Argentina
dc.journal.title
Journal Of Physical Chemistry A
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/10.1021/jp211241x
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/jp211241x
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/jp211241x
Archivos asociados