Competition kinetics using the UV/H2O2 process: a structure reactivity correlation for the rate constants of hydroxyl radicals toward nitroaromatic compounds
- Autores
- Garcia Einschlag, Fernando Sebastian; Carlos, Luciano; Capparelli, Alberto Luis
- Año de publicación
- 2003
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The rate constants for hydroxyl radical reaction toward a set of nitroaromatic substrates kS, have been measured at 25ºC using competition experiments in the UV/H2O2 process. For a given pair of substrates S1 and S2, the relative reactivity beta(defined as kS1/kS2) was calculated from the slope of the corresponding double logarithmic plot, i.e., of ln[S1] vs. Ln[S2]. This method is more accurate and remained linear for larger conversions in comparison with the plots of ln[S1] and ln[S2] against time. The rate constants measured ranged from 0.33 to 8.6 109 M-1 s-1. A quantitative structure–reactivity relationship was found using the Hammett equation. Assuming sigma values to be additive, a value of -0.60 was obtained for the reaction constant rho. This value agrees with the high reactivity and the electrophilic nature of HO•.radical.
Fil: Garcia Einschlag, Fernando Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Carlos, Luciano. Universidad Nacional de La Plata; Argentina
Fil: Capparelli, Alberto Luis. Universidad Nacional de La Plata; Argentina - Materia
-
Advanced Oxidation Processes
Nitroaromatic Compounds
Hydroxyl Radicals
Competitive Kinetics - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/28584
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oai:ri.conicet.gov.ar:11336/28584 |
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3498 |
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CONICET Digital (CONICET) |
spelling |
Competition kinetics using the UV/H2O2 process: a structure reactivity correlation for the rate constants of hydroxyl radicals toward nitroaromatic compoundsGarcia Einschlag, Fernando SebastianCarlos, LucianoCapparelli, Alberto LuisAdvanced Oxidation ProcessesNitroaromatic CompoundsHydroxyl RadicalsCompetitive Kineticshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The rate constants for hydroxyl radical reaction toward a set of nitroaromatic substrates kS, have been measured at 25ºC using competition experiments in the UV/H2O2 process. For a given pair of substrates S1 and S2, the relative reactivity beta(defined as kS1/kS2) was calculated from the slope of the corresponding double logarithmic plot, i.e., of ln[S1] vs. Ln[S2]. This method is more accurate and remained linear for larger conversions in comparison with the plots of ln[S1] and ln[S2] against time. The rate constants measured ranged from 0.33 to 8.6 10<sup>9</sup> M-1 s-1. A quantitative structure–reactivity relationship was found using the Hammett equation. Assuming sigma values to be additive, a value of -0.60 was obtained for the reaction constant rho. This value agrees with the high reactivity and the electrophilic nature of HO•.radical.Fil: Garcia Einschlag, Fernando Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaFil: Carlos, Luciano. Universidad Nacional de La Plata; ArgentinaFil: Capparelli, Alberto Luis. Universidad Nacional de La Plata; ArgentinaPergamon-Elsevier Science Ltd.2003-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/28584Garcia Einschlag, Fernando Sebastian; Carlos, Luciano; Capparelli, Alberto Luis; Competition kinetics using the UV/H2O2 process: a structure reactivity correlation for the rate constants of hydroxyl radicals toward nitroaromatic compounds; Pergamon-Elsevier Science Ltd.; Chemosphere; 53; 12-2003; 1-70045-6535CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/S0045-6535(03)00388-6info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:40:47Zoai:ri.conicet.gov.ar:11336/28584instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 10:40:47.857CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
Competition kinetics using the UV/H2O2 process: a structure reactivity correlation for the rate constants of hydroxyl radicals toward nitroaromatic compounds |
title |
Competition kinetics using the UV/H2O2 process: a structure reactivity correlation for the rate constants of hydroxyl radicals toward nitroaromatic compounds |
spellingShingle |
Competition kinetics using the UV/H2O2 process: a structure reactivity correlation for the rate constants of hydroxyl radicals toward nitroaromatic compounds Garcia Einschlag, Fernando Sebastian Advanced Oxidation Processes Nitroaromatic Compounds Hydroxyl Radicals Competitive Kinetics |
title_short |
Competition kinetics using the UV/H2O2 process: a structure reactivity correlation for the rate constants of hydroxyl radicals toward nitroaromatic compounds |
title_full |
Competition kinetics using the UV/H2O2 process: a structure reactivity correlation for the rate constants of hydroxyl radicals toward nitroaromatic compounds |
title_fullStr |
Competition kinetics using the UV/H2O2 process: a structure reactivity correlation for the rate constants of hydroxyl radicals toward nitroaromatic compounds |
title_full_unstemmed |
Competition kinetics using the UV/H2O2 process: a structure reactivity correlation for the rate constants of hydroxyl radicals toward nitroaromatic compounds |
title_sort |
Competition kinetics using the UV/H2O2 process: a structure reactivity correlation for the rate constants of hydroxyl radicals toward nitroaromatic compounds |
dc.creator.none.fl_str_mv |
Garcia Einschlag, Fernando Sebastian Carlos, Luciano Capparelli, Alberto Luis |
author |
Garcia Einschlag, Fernando Sebastian |
author_facet |
Garcia Einschlag, Fernando Sebastian Carlos, Luciano Capparelli, Alberto Luis |
author_role |
author |
author2 |
Carlos, Luciano Capparelli, Alberto Luis |
author2_role |
author author |
dc.subject.none.fl_str_mv |
Advanced Oxidation Processes Nitroaromatic Compounds Hydroxyl Radicals Competitive Kinetics |
topic |
Advanced Oxidation Processes Nitroaromatic Compounds Hydroxyl Radicals Competitive Kinetics |
purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 |
dc.description.none.fl_txt_mv |
The rate constants for hydroxyl radical reaction toward a set of nitroaromatic substrates kS, have been measured at 25ºC using competition experiments in the UV/H2O2 process. For a given pair of substrates S1 and S2, the relative reactivity beta(defined as kS1/kS2) was calculated from the slope of the corresponding double logarithmic plot, i.e., of ln[S1] vs. Ln[S2]. This method is more accurate and remained linear for larger conversions in comparison with the plots of ln[S1] and ln[S2] against time. The rate constants measured ranged from 0.33 to 8.6 10<sup>9</sup> M-1 s-1. A quantitative structure–reactivity relationship was found using the Hammett equation. Assuming sigma values to be additive, a value of -0.60 was obtained for the reaction constant rho. This value agrees with the high reactivity and the electrophilic nature of HO•.radical. Fil: Garcia Einschlag, Fernando Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina Fil: Carlos, Luciano. Universidad Nacional de La Plata; Argentina Fil: Capparelli, Alberto Luis. Universidad Nacional de La Plata; Argentina |
description |
The rate constants for hydroxyl radical reaction toward a set of nitroaromatic substrates kS, have been measured at 25ºC using competition experiments in the UV/H2O2 process. For a given pair of substrates S1 and S2, the relative reactivity beta(defined as kS1/kS2) was calculated from the slope of the corresponding double logarithmic plot, i.e., of ln[S1] vs. Ln[S2]. This method is more accurate and remained linear for larger conversions in comparison with the plots of ln[S1] and ln[S2] against time. The rate constants measured ranged from 0.33 to 8.6 10<sup>9</sup> M-1 s-1. A quantitative structure–reactivity relationship was found using the Hammett equation. Assuming sigma values to be additive, a value of -0.60 was obtained for the reaction constant rho. This value agrees with the high reactivity and the electrophilic nature of HO•.radical. |
publishDate |
2003 |
dc.date.none.fl_str_mv |
2003-12 |
dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
format |
article |
status_str |
publishedVersion |
dc.identifier.none.fl_str_mv |
http://hdl.handle.net/11336/28584 Garcia Einschlag, Fernando Sebastian; Carlos, Luciano; Capparelli, Alberto Luis; Competition kinetics using the UV/H2O2 process: a structure reactivity correlation for the rate constants of hydroxyl radicals toward nitroaromatic compounds; Pergamon-Elsevier Science Ltd.; Chemosphere; 53; 12-2003; 1-7 0045-6535 CONICET Digital CONICET |
url |
http://hdl.handle.net/11336/28584 |
identifier_str_mv |
Garcia Einschlag, Fernando Sebastian; Carlos, Luciano; Capparelli, Alberto Luis; Competition kinetics using the UV/H2O2 process: a structure reactivity correlation for the rate constants of hydroxyl radicals toward nitroaromatic compounds; Pergamon-Elsevier Science Ltd.; Chemosphere; 53; 12-2003; 1-7 0045-6535 CONICET Digital CONICET |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/doi/10.1016/S0045-6535(03)00388-6 |
dc.rights.none.fl_str_mv |
info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
eu_rights_str_mv |
openAccess |
rights_invalid_str_mv |
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
dc.format.none.fl_str_mv |
application/pdf application/pdf application/pdf application/pdf |
dc.publisher.none.fl_str_mv |
Pergamon-Elsevier Science Ltd. |
publisher.none.fl_str_mv |
Pergamon-Elsevier Science Ltd. |
dc.source.none.fl_str_mv |
reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas |
reponame_str |
CONICET Digital (CONICET) |
collection |
CONICET Digital (CONICET) |
instname_str |
Consejo Nacional de Investigaciones Científicas y Técnicas |
repository.name.fl_str_mv |
CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas |
repository.mail.fl_str_mv |
dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar |
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1844614437102682112 |
score |
13.070432 |