Kinetics of the reactions of Cl atoms with CF3C(O)OCH3, CF3C(O)OCH2CH3, CF2HC(O)OCH3 in the temperature range of 287-313K and 1 atm
- Autores
- Blanco, Maria Belen; Barnes, Ian; Wiesen, Peter; Teruel, Mariano Andres
- Año de publicación
- 2015
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- Rate coefficients of the reactions of Cl atoms with CF3C(O)OCH3 (k1), CF3C(O)OCH2CH3 (k2) and CF2HC(O)OCH3 (k3) have been measured for the first time in the temperature range of 287–313 K and 1 atm. Temperature dependencies of k are described by the Arrhenius expressions: k1 = (5 ± 2) × 10−12 exp[−(1216 ± 72)/T] (cm3 molecule−1 s−1), k2 = (539 ± 164) × 10−12 exp[−(1637 ± 94)/T] (cm3 molecule−1 s−1) and k3 = (20 ± 9) × 10−12 exp[−(1368 ± 82)/T] (cm3 molecule−1 s−1). The kinetic data are compared with previous theoretical calculations and a correlation between kCl and EHOMO of the halogenated VOC is presented.
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
Fil: Barnes, Ian. Bergishe Universitaet Wuppertal; Alemania
Fil: Wiesen, Peter. Bergishe Universitaet Wuppertal; Alemania
Fil: Teruel, Mariano Andres. 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 - Materia
-
Fluoroester
Arrhenius Parameters
Ftir - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
.jpg)
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/47379
Ver los metadatos del registro completo
| id |
CONICETDig_ef86f22355a355be764633919959f93c |
|---|---|
| oai_identifier_str |
oai:ri.conicet.gov.ar:11336/47379 |
| network_acronym_str |
CONICETDig |
| repository_id_str |
3498 |
| network_name_str |
CONICET Digital (CONICET) |
| spelling |
Kinetics of the reactions of Cl atoms with CF3C(O)OCH3, CF3C(O)OCH2CH3, CF2HC(O)OCH3 in the temperature range of 287-313K and 1 atmBlanco, Maria BelenBarnes, IanWiesen, PeterTeruel, Mariano AndresFluoroesterArrhenius ParametersFtirhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Rate coefficients of the reactions of Cl atoms with CF3C(O)OCH3 (k1), CF3C(O)OCH2CH3 (k2) and CF2HC(O)OCH3 (k3) have been measured for the first time in the temperature range of 287–313 K and 1 atm. Temperature dependencies of k are described by the Arrhenius expressions: k1 = (5 ± 2) × 10−12 exp[−(1216 ± 72)/T] (cm3 molecule−1 s−1), k2 = (539 ± 164) × 10−12 exp[−(1637 ± 94)/T] (cm3 molecule−1 s−1) and k3 = (20 ± 9) × 10−12 exp[−(1368 ± 82)/T] (cm3 molecule−1 s−1). The kinetic data are compared with previous theoretical calculations and a correlation between kCl and EHOMO of the halogenated VOC is presented.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; ArgentinaFil: Barnes, Ian. Bergishe Universitaet Wuppertal; AlemaniaFil: Wiesen, Peter. Bergishe Universitaet Wuppertal; AlemaniaFil: Teruel, Mariano Andres. 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; ArgentinaElsevier Science2015-10-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/47379Blanco, Maria Belen; Barnes, Ian; Wiesen, Peter; Teruel, Mariano Andres; Kinetics of the reactions of Cl atoms with CF3C(O)OCH3, CF3C(O)OCH2CH3, CF2HC(O)OCH3 in the temperature range of 287-313K and 1 atm; Elsevier Science; Chemical Physics Letters; 638; 1-10-2015; 15-200009-2614CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0009261415005989info:eu-repo/semantics/altIdentifier/doi/10.1016/j.cplett.2015.08.011info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:05:46Zoai:ri.conicet.gov.ar:11336/47379instacron: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:34982025-09-10 13:05:46.651CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
| dc.title.none.fl_str_mv |
Kinetics of the reactions of Cl atoms with CF3C(O)OCH3, CF3C(O)OCH2CH3, CF2HC(O)OCH3 in the temperature range of 287-313K and 1 atm |
| title |
Kinetics of the reactions of Cl atoms with CF3C(O)OCH3, CF3C(O)OCH2CH3, CF2HC(O)OCH3 in the temperature range of 287-313K and 1 atm |
| spellingShingle |
Kinetics of the reactions of Cl atoms with CF3C(O)OCH3, CF3C(O)OCH2CH3, CF2HC(O)OCH3 in the temperature range of 287-313K and 1 atm Blanco, Maria Belen Fluoroester Arrhenius Parameters Ftir |
| title_short |
Kinetics of the reactions of Cl atoms with CF3C(O)OCH3, CF3C(O)OCH2CH3, CF2HC(O)OCH3 in the temperature range of 287-313K and 1 atm |
| title_full |
Kinetics of the reactions of Cl atoms with CF3C(O)OCH3, CF3C(O)OCH2CH3, CF2HC(O)OCH3 in the temperature range of 287-313K and 1 atm |
| title_fullStr |
Kinetics of the reactions of Cl atoms with CF3C(O)OCH3, CF3C(O)OCH2CH3, CF2HC(O)OCH3 in the temperature range of 287-313K and 1 atm |
| title_full_unstemmed |
Kinetics of the reactions of Cl atoms with CF3C(O)OCH3, CF3C(O)OCH2CH3, CF2HC(O)OCH3 in the temperature range of 287-313K and 1 atm |
| title_sort |
Kinetics of the reactions of Cl atoms with CF3C(O)OCH3, CF3C(O)OCH2CH3, CF2HC(O)OCH3 in the temperature range of 287-313K and 1 atm |
| dc.creator.none.fl_str_mv |
Blanco, Maria Belen Barnes, Ian Wiesen, Peter Teruel, Mariano Andres |
| author |
Blanco, Maria Belen |
| author_facet |
Blanco, Maria Belen Barnes, Ian Wiesen, Peter Teruel, Mariano Andres |
| author_role |
author |
| author2 |
Barnes, Ian Wiesen, Peter Teruel, Mariano Andres |
| author2_role |
author author author |
| dc.subject.none.fl_str_mv |
Fluoroester Arrhenius Parameters Ftir |
| topic |
Fluoroester Arrhenius Parameters Ftir |
| purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 |
| dc.description.none.fl_txt_mv |
Rate coefficients of the reactions of Cl atoms with CF3C(O)OCH3 (k1), CF3C(O)OCH2CH3 (k2) and CF2HC(O)OCH3 (k3) have been measured for the first time in the temperature range of 287–313 K and 1 atm. Temperature dependencies of k are described by the Arrhenius expressions: k1 = (5 ± 2) × 10−12 exp[−(1216 ± 72)/T] (cm3 molecule−1 s−1), k2 = (539 ± 164) × 10−12 exp[−(1637 ± 94)/T] (cm3 molecule−1 s−1) and k3 = (20 ± 9) × 10−12 exp[−(1368 ± 82)/T] (cm3 molecule−1 s−1). The kinetic data are compared with previous theoretical calculations and a correlation between kCl and EHOMO of the halogenated VOC is presented. 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 Fil: Barnes, Ian. Bergishe Universitaet Wuppertal; Alemania Fil: Wiesen, Peter. Bergishe Universitaet Wuppertal; Alemania Fil: Teruel, Mariano Andres. 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 |
| description |
Rate coefficients of the reactions of Cl atoms with CF3C(O)OCH3 (k1), CF3C(O)OCH2CH3 (k2) and CF2HC(O)OCH3 (k3) have been measured for the first time in the temperature range of 287–313 K and 1 atm. Temperature dependencies of k are described by the Arrhenius expressions: k1 = (5 ± 2) × 10−12 exp[−(1216 ± 72)/T] (cm3 molecule−1 s−1), k2 = (539 ± 164) × 10−12 exp[−(1637 ± 94)/T] (cm3 molecule−1 s−1) and k3 = (20 ± 9) × 10−12 exp[−(1368 ± 82)/T] (cm3 molecule−1 s−1). The kinetic data are compared with previous theoretical calculations and a correlation between kCl and EHOMO of the halogenated VOC is presented. |
| publishDate |
2015 |
| dc.date.none.fl_str_mv |
2015-10-01 |
| 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/11336/47379 Blanco, Maria Belen; Barnes, Ian; Wiesen, Peter; Teruel, Mariano Andres; Kinetics of the reactions of Cl atoms with CF3C(O)OCH3, CF3C(O)OCH2CH3, CF2HC(O)OCH3 in the temperature range of 287-313K and 1 atm; Elsevier Science; Chemical Physics Letters; 638; 1-10-2015; 15-20 0009-2614 CONICET Digital CONICET |
| url |
http://hdl.handle.net/11336/47379 |
| identifier_str_mv |
Blanco, Maria Belen; Barnes, Ian; Wiesen, Peter; Teruel, Mariano Andres; Kinetics of the reactions of Cl atoms with CF3C(O)OCH3, CF3C(O)OCH2CH3, CF2HC(O)OCH3 in the temperature range of 287-313K and 1 atm; Elsevier Science; Chemical Physics Letters; 638; 1-10-2015; 15-20 0009-2614 CONICET Digital CONICET |
| dc.language.none.fl_str_mv |
eng |
| language |
eng |
| dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0009261415005989 info:eu-repo/semantics/altIdentifier/doi/10.1016/j.cplett.2015.08.011 |
| 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 |
| dc.publisher.none.fl_str_mv |
Elsevier Science |
| publisher.none.fl_str_mv |
Elsevier Science |
| 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 |
| _version_ |
1842980221971595264 |
| score |
12.993085 |