Calorimetric and computational study of enthalpy of formation of diperoxide of cyclohexanone

Autores
Romero, Jorge Marcelo; Bustillo, Soledad; Ramírez Maisuls, Hugo Enrique; Jorge, Nelly Lidia; Gómez Vara, Manuel Eduardo; Castro, Eduardo A.; Jubert, Alicia Haydeé
Año de publicación
2007
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A thermochemical rather simple experimental technique is applied to determine the enthalpy of formation of Diperoxide of ciclohexanone. The study is complemented with suitable theoretical calculations at the semiempirical and ab initio levels. A particular satisfactory agreement between both ways is found for the ab initio calculation at the 6-311G basis This set level. Some possible extensions of the present procedure are pointed out.
Facultad de Ciencias Exactas
Materia
Ciencias Exactas
diperoxide
cyclohexanone
enthalpy of formation
peroxide
ab initio calculation
heat
tetroxane
enthalpy
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/3.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/37158
Acceder
id SEDICI_bdb58cc17076b8450ab3adb298f6c2b6
oai_identifier_str oai:sedici.unlp.edu.ar:10915/37158
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Calorimetric and computational study of enthalpy of formation of diperoxide of cyclohexanoneRomero, Jorge MarceloBustillo, SoledadRamírez Maisuls, Hugo EnriqueJorge, Nelly LidiaGómez Vara, Manuel EduardoCastro, Eduardo A.Jubert, Alicia HaydeéCiencias Exactasdiperoxidecyclohexanoneenthalpy of formationperoxideab initio calculationheattetroxaneenthalpyA thermochemical rather simple experimental technique is applied to determine the enthalpy of formation of Diperoxide of ciclohexanone. The study is complemented with suitable theoretical calculations at the semiempirical and ab initio levels. A particular satisfactory agreement between both ways is found for the ab initio calculation at the 6-311G basis This set level. Some possible extensions of the present procedure are pointed out.Facultad de Ciencias Exactas2007-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf688-694http://sedici.unlp.edu.ar/handle/10915/37158enginfo:eu-repo/semantics/altIdentifier/url/http://www.mdpi.com/1422-0067/8/7/688info:eu-repo/semantics/altIdentifier/issn/1422-0067info:eu-repo/semantics/altIdentifier/doi/10.3390/i8070688info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/3.0/Creative Commons Attribution 3.0 Unported (CC BY 3.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-10-15T10:49:41Zoai:sedici.unlp.edu.ar:10915/37158Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-10-15 10:49:41.335SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Calorimetric and computational study of enthalpy of formation of diperoxide of cyclohexanone
title Calorimetric and computational study of enthalpy of formation of diperoxide of cyclohexanone
spellingShingle Calorimetric and computational study of enthalpy of formation of diperoxide of cyclohexanone
Romero, Jorge Marcelo
Ciencias Exactas
diperoxide
cyclohexanone
enthalpy of formation
peroxide
ab initio calculation
heat
tetroxane
enthalpy
title_short Calorimetric and computational study of enthalpy of formation of diperoxide of cyclohexanone
title_full Calorimetric and computational study of enthalpy of formation of diperoxide of cyclohexanone
title_fullStr Calorimetric and computational study of enthalpy of formation of diperoxide of cyclohexanone
title_full_unstemmed Calorimetric and computational study of enthalpy of formation of diperoxide of cyclohexanone
title_sort Calorimetric and computational study of enthalpy of formation of diperoxide of cyclohexanone
dc.creator.none.fl_str_mv Romero, Jorge Marcelo
Bustillo, Soledad
Ramírez Maisuls, Hugo Enrique
Jorge, Nelly Lidia
Gómez Vara, Manuel Eduardo
Castro, Eduardo A.
Jubert, Alicia Haydeé
author Romero, Jorge Marcelo
author_facet Romero, Jorge Marcelo
Bustillo, Soledad
Ramírez Maisuls, Hugo Enrique
Jorge, Nelly Lidia
Gómez Vara, Manuel Eduardo
Castro, Eduardo A.
Jubert, Alicia Haydeé
author_role author
author2 Bustillo, Soledad
Ramírez Maisuls, Hugo Enrique
Jorge, Nelly Lidia
Gómez Vara, Manuel Eduardo
Castro, Eduardo A.
Jubert, Alicia Haydeé
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv Ciencias Exactas
diperoxide
cyclohexanone
enthalpy of formation
peroxide
ab initio calculation
heat
tetroxane
enthalpy
topic Ciencias Exactas
diperoxide
cyclohexanone
enthalpy of formation
peroxide
ab initio calculation
heat
tetroxane
enthalpy
dc.description.none.fl_txt_mv A thermochemical rather simple experimental technique is applied to determine the enthalpy of formation of Diperoxide of ciclohexanone. The study is complemented with suitable theoretical calculations at the semiempirical and ab initio levels. A particular satisfactory agreement between both ways is found for the ab initio calculation at the 6-311G basis This set level. Some possible extensions of the present procedure are pointed out.
Facultad de Ciencias Exactas
description A thermochemical rather simple experimental technique is applied to determine the enthalpy of formation of Diperoxide of ciclohexanone. The study is complemented with suitable theoretical calculations at the semiempirical and ab initio levels. A particular satisfactory agreement between both ways is found for the ab initio calculation at the 6-311G basis This set level. Some possible extensions of the present procedure are pointed out.
publishDate 2007
dc.date.none.fl_str_mv 2007-07
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
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://sedici.unlp.edu.ar/handle/10915/37158
url http://sedici.unlp.edu.ar/handle/10915/37158
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://www.mdpi.com/1422-0067/8/7/688
info:eu-repo/semantics/altIdentifier/issn/1422-0067
info:eu-repo/semantics/altIdentifier/doi/10.3390/i8070688
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/3.0/
Creative Commons Attribution 3.0 Unported (CC BY 3.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/3.0/
Creative Commons Attribution 3.0 Unported (CC BY 3.0)
dc.format.none.fl_str_mv application/pdf
688-694
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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score 13.221938

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