Thermal Decomposition of 3,6-Diphenyl-1,2,4,5-Tetroxane in Nitromethane Solution

Autores
Bordón, Alexander Germán; Pila, Andrea Natalia; Profeta, Mariela Inés; Jorge, Maria Josefa; Jorge, Lilian Cristina; Romero, Jorge Marcelo; Jorge, Nelly Lidia
Año de publicación
2018
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The thermal decomposition reaction of benzaldehyde diperoxide (DFT; 0.001 mol L-1) in nitromethane solution studied in the temperature range of 130.0-166.0 °C, follows a first-order kinetic law up to at least 60% DFT conversion. The organic products observed were benzaldheyde and benzoic acid. A stepwise mechanism of decomposition was proposed where the first step is the homolytic unimolecular rupture of the O-O bond. The activation enthalpy and activation entropy for DFT in nitromethane were calculated (DH# = 106.3 ± 1.0 kJ mol-1 and DS# = -58.6 ± 1.1 J mol-1K-1) and compared with those obtained in other solvents to evaluate the solvent effect.
Fil: Bordón, Alexander Germán. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; Argentina
Fil: Pila, Andrea Natalia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Modelado e Innovación Tecnológica. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Modelado e Innovación Tecnológica; Argentina
Fil: Profeta, Mariela Inés. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; Argentina
Fil: Jorge, Maria Josefa. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; Argentina
Fil: Jorge, Lilian Cristina. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; Argentina
Fil: Romero, Jorge Marcelo. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; Argentina
Fil: Jorge, Nelly Lidia. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; Argentina
Materia
DFT
KINETIC
GAS CHROMATOGRAPHY
ACTIVATION ENERGIES
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/81664
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Thermal Decomposition of 3,6-Diphenyl-1,2,4,5-Tetroxane in Nitromethane SolutionBordón, Alexander GermánPila, Andrea NataliaProfeta, Mariela InésJorge, Maria JosefaJorge, Lilian CristinaRomero, Jorge MarceloJorge, Nelly LidiaDFTKINETICGAS CHROMATOGRAPHYACTIVATION ENERGIEShttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The thermal decomposition reaction of benzaldehyde diperoxide (DFT; 0.001 mol L-1) in nitromethane solution studied in the temperature range of 130.0-166.0 °C, follows a first-order kinetic law up to at least 60% DFT conversion. The organic products observed were benzaldheyde and benzoic acid. A stepwise mechanism of decomposition was proposed where the first step is the homolytic unimolecular rupture of the O-O bond. The activation enthalpy and activation entropy for DFT in nitromethane were calculated (DH# = 106.3 ± 1.0 kJ mol-1 and DS# = -58.6 ± 1.1 J mol-1K-1) and compared with those obtained in other solvents to evaluate the solvent effect.Fil: Bordón, Alexander Germán. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; ArgentinaFil: Pila, Andrea Natalia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Modelado e Innovación Tecnológica. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Modelado e Innovación Tecnológica; ArgentinaFil: Profeta, Mariela Inés. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; ArgentinaFil: Jorge, Maria Josefa. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; ArgentinaFil: Jorge, Lilian Cristina. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; ArgentinaFil: Romero, Jorge Marcelo. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; ArgentinaFil: Jorge, Nelly Lidia. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; ArgentinaKhalsa Publications2018-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/81664Bordón, Alexander Germán; Pila, Andrea Natalia; Profeta, Mariela Inés; Jorge, Maria Josefa; Jorge, Lilian Cristina; et al.; Thermal Decomposition of 3,6-Diphenyl-1,2,4,5-Tetroxane in Nitromethane Solution; Khalsa Publications; Journal of Advances in Chemistry; 15; 2; 12-2018; 6306-63102321-807XCONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.24297/jac.v15i2.7961info:eu-repo/semantics/altIdentifier/url/https://cirworld.com/index.php/jac/article/view/7961info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:48:18Zoai:ri.conicet.gov.ar:11336/81664instacron: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:34982025-09-03 09:48:18.656CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Thermal Decomposition of 3,6-Diphenyl-1,2,4,5-Tetroxane in Nitromethane Solution
title Thermal Decomposition of 3,6-Diphenyl-1,2,4,5-Tetroxane in Nitromethane Solution
spellingShingle Thermal Decomposition of 3,6-Diphenyl-1,2,4,5-Tetroxane in Nitromethane Solution
Bordón, Alexander Germán
DFT
KINETIC
GAS CHROMATOGRAPHY
ACTIVATION ENERGIES
title_short Thermal Decomposition of 3,6-Diphenyl-1,2,4,5-Tetroxane in Nitromethane Solution
title_full Thermal Decomposition of 3,6-Diphenyl-1,2,4,5-Tetroxane in Nitromethane Solution
title_fullStr Thermal Decomposition of 3,6-Diphenyl-1,2,4,5-Tetroxane in Nitromethane Solution
title_full_unstemmed Thermal Decomposition of 3,6-Diphenyl-1,2,4,5-Tetroxane in Nitromethane Solution
title_sort Thermal Decomposition of 3,6-Diphenyl-1,2,4,5-Tetroxane in Nitromethane Solution
dc.creator.none.fl_str_mv Bordón, Alexander Germán
Pila, Andrea Natalia
Profeta, Mariela Inés
Jorge, Maria Josefa
Jorge, Lilian Cristina
Romero, Jorge Marcelo
Jorge, Nelly Lidia
author Bordón, Alexander Germán
author_facet Bordón, Alexander Germán
Pila, Andrea Natalia
Profeta, Mariela Inés
Jorge, Maria Josefa
Jorge, Lilian Cristina
Romero, Jorge Marcelo
Jorge, Nelly Lidia
author_role author
author2 Pila, Andrea Natalia
Profeta, Mariela Inés
Jorge, Maria Josefa
Jorge, Lilian Cristina
Romero, Jorge Marcelo
Jorge, Nelly Lidia
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv DFT
KINETIC
GAS CHROMATOGRAPHY
ACTIVATION ENERGIES
topic DFT
KINETIC
GAS CHROMATOGRAPHY
ACTIVATION ENERGIES
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 thermal decomposition reaction of benzaldehyde diperoxide (DFT; 0.001 mol L-1) in nitromethane solution studied in the temperature range of 130.0-166.0 °C, follows a first-order kinetic law up to at least 60% DFT conversion. The organic products observed were benzaldheyde and benzoic acid. A stepwise mechanism of decomposition was proposed where the first step is the homolytic unimolecular rupture of the O-O bond. The activation enthalpy and activation entropy for DFT in nitromethane were calculated (DH# = 106.3 ± 1.0 kJ mol-1 and DS# = -58.6 ± 1.1 J mol-1K-1) and compared with those obtained in other solvents to evaluate the solvent effect.
Fil: Bordón, Alexander Germán. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; Argentina
Fil: Pila, Andrea Natalia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Modelado e Innovación Tecnológica. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Modelado e Innovación Tecnológica; Argentina
Fil: Profeta, Mariela Inés. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; Argentina
Fil: Jorge, Maria Josefa. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; Argentina
Fil: Jorge, Lilian Cristina. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; Argentina
Fil: Romero, Jorge Marcelo. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; Argentina
Fil: Jorge, Nelly Lidia. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; Argentina
description The thermal decomposition reaction of benzaldehyde diperoxide (DFT; 0.001 mol L-1) in nitromethane solution studied in the temperature range of 130.0-166.0 °C, follows a first-order kinetic law up to at least 60% DFT conversion. The organic products observed were benzaldheyde and benzoic acid. A stepwise mechanism of decomposition was proposed where the first step is the homolytic unimolecular rupture of the O-O bond. The activation enthalpy and activation entropy for DFT in nitromethane were calculated (DH# = 106.3 ± 1.0 kJ mol-1 and DS# = -58.6 ± 1.1 J mol-1K-1) and compared with those obtained in other solvents to evaluate the solvent effect.
publishDate 2018
dc.date.none.fl_str_mv 2018-12
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/11336/81664
Bordón, Alexander Germán; Pila, Andrea Natalia; Profeta, Mariela Inés; Jorge, Maria Josefa; Jorge, Lilian Cristina; et al.; Thermal Decomposition of 3,6-Diphenyl-1,2,4,5-Tetroxane in Nitromethane Solution; Khalsa Publications; Journal of Advances in Chemistry; 15; 2; 12-2018; 6306-6310
2321-807X
CONICET Digital
CONICET
url http://hdl.handle.net/11336/81664
identifier_str_mv Bordón, Alexander Germán; Pila, Andrea Natalia; Profeta, Mariela Inés; Jorge, Maria Josefa; Jorge, Lilian Cristina; et al.; Thermal Decomposition of 3,6-Diphenyl-1,2,4,5-Tetroxane in Nitromethane Solution; Khalsa Publications; Journal of Advances in Chemistry; 15; 2; 12-2018; 6306-6310
2321-807X
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.24297/jac.v15i2.7961
info:eu-repo/semantics/altIdentifier/url/https://cirworld.com/index.php/jac/article/view/7961
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Khalsa Publications
publisher.none.fl_str_mv Khalsa Publications
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_ 1842268916691238912
score 13.13397

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