Indices de poder electrofílico global y local para el estudio teórico de la reactividad química: aplicación a derivados carbonilo a,ß-insaturados

In this study two new global descriptors for chemical reactivity are proposed, namely the electrophilic power and nucleophilic power. These have been developed by performing the normalization of the local electrophilic power and local nucleophilic power respectively, which were recently proposed els...

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Autores:
Figueredo, S. F.
Páez, M. S.
Torres Hoyos, Francisco José
Tipo de recurso:
Article of journal
Fecha de publicación:
2017
Institución:
Universidad Cooperativa de Colombia
Repositorio:
Repositorio UCC
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OAI Identifier:
oai:repository.ucc.edu.co:20.500.12494/42217
Acceso en línea:
https://doi.org/10.25054/rfs.v5i1.128
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85006716655&doi=10.11144%2fJaveriana.m9-18.ffpp&partnerID=40&md5=0783f70261577cd999bed076beb000e1
https://hdl.handle.net/20.500.12494/42217
Palabra clave:
Chemical reactivity
Conceptual DFT
Electrophilic power
Nucleophilic power
Unsaturated carbonyl compounds
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closedAccess
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http://purl.org/coar/access_right/c_14cb
id COOPER2_57d5a70bcf5cd9b074ba00406779e943
oai_identifier_str oai:repository.ucc.edu.co:20.500.12494/42217
network_acronym_str COOPER2
network_name_str Repositorio UCC
repository_id_str
spelling Figueredo, S. F.Páez, M. S.Torres Hoyos, Francisco José2021-12-16T22:16:06Z2021-12-16T22:16:06Z2017https://doi.org/10.25054/rfs.v5i1.128https://www.scopus.com/inward/record.uri?eid=2-s2.0-85006716655&doi=10.11144%2fJaveriana.m9-18.ffpp&partnerID=40&md5=0783f70261577cd999bed076beb000e101004042https://hdl.handle.net/20.500.12494/42217Figueredo S. F., Páez M. S. y Torres F. Indices de poder electrofílico global y local para el estudio teórico de la reactividad química: aplicación a derivados carbonilo a,ß-insaturados. QUIM NOVA. 2017. 40. (5):p. 513-522. .In this study two new global descriptors for chemical reactivity are proposed, namely the electrophilic power and nucleophilic power. These have been developed by performing the normalization of the local electrophilic power and local nucleophilic power respectively, which were recently proposed elsewhere. In particular, the usefulness of both global and local electrophilic power was evaluated by studying the chemical reactivity of six series of a,b-unsaturated carbonyl compounds whose experimental reactivity measures toward the nucleophile glutathione are available. It was observed in the majority of the cases the global and local electrophilic powers work as better than the popular global and local electrophilicity indices, respectively.0000-0002-4526-4240francisco.torresh@campusucc.edu.co522-513Sociedade Brasileira de QuimicaChemical reactivityConceptual DFTElectrophilic powerNucleophilic powerUnsaturated carbonyl compoundsIndices de poder electrofílico global y local para el estudio teórico de la reactividad química: aplicación a derivados carbonilo a,ß-insaturadosArtículohttp://purl.org/coar/resource_type/c_6501http://purl.org/coar/resource_type/c_2df8fbb1http://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articlehttp://purl.org/redcol/resource_type/ARTinfo:eu-repo/semantics/publishedVersionQUIM NOVAinfo:eu-repo/semantics/closedAccesshttp://purl.org/coar/access_right/c_14cbPublication20.500.12494/42217oai:repository.ucc.edu.co:20.500.12494/422172024-08-20 16:17:10.722metadata.onlyhttps://repository.ucc.edu.coRepositorio Institucional Universidad Cooperativa de Colombiabdigital@metabiblioteca.com
dc.title.spa.fl_str_mv Indices de poder electrofílico global y local para el estudio teórico de la reactividad química: aplicación a derivados carbonilo a,ß-insaturados
title Indices de poder electrofílico global y local para el estudio teórico de la reactividad química: aplicación a derivados carbonilo a,ß-insaturados
spellingShingle Indices de poder electrofílico global y local para el estudio teórico de la reactividad química: aplicación a derivados carbonilo a,ß-insaturados
Chemical reactivity
Conceptual DFT
Electrophilic power
Nucleophilic power
Unsaturated carbonyl compounds
title_short Indices de poder electrofílico global y local para el estudio teórico de la reactividad química: aplicación a derivados carbonilo a,ß-insaturados
title_full Indices de poder electrofílico global y local para el estudio teórico de la reactividad química: aplicación a derivados carbonilo a,ß-insaturados
title_fullStr Indices de poder electrofílico global y local para el estudio teórico de la reactividad química: aplicación a derivados carbonilo a,ß-insaturados
title_full_unstemmed Indices de poder electrofílico global y local para el estudio teórico de la reactividad química: aplicación a derivados carbonilo a,ß-insaturados
title_sort Indices de poder electrofílico global y local para el estudio teórico de la reactividad química: aplicación a derivados carbonilo a,ß-insaturados
dc.creator.fl_str_mv Figueredo, S. F.
Páez, M. S.
Torres Hoyos, Francisco José
dc.contributor.author.none.fl_str_mv Figueredo, S. F.
Páez, M. S.
Torres Hoyos, Francisco José
dc.subject.spa.fl_str_mv Chemical reactivity
Conceptual DFT
Electrophilic power
Nucleophilic power
Unsaturated carbonyl compounds
topic Chemical reactivity
Conceptual DFT
Electrophilic power
Nucleophilic power
Unsaturated carbonyl compounds
description In this study two new global descriptors for chemical reactivity are proposed, namely the electrophilic power and nucleophilic power. These have been developed by performing the normalization of the local electrophilic power and local nucleophilic power respectively, which were recently proposed elsewhere. In particular, the usefulness of both global and local electrophilic power was evaluated by studying the chemical reactivity of six series of a,b-unsaturated carbonyl compounds whose experimental reactivity measures toward the nucleophile glutathione are available. It was observed in the majority of the cases the global and local electrophilic powers work as better than the popular global and local electrophilicity indices, respectively.
publishDate 2017
dc.date.issued.none.fl_str_mv 2017
dc.date.accessioned.none.fl_str_mv 2021-12-16T22:16:06Z
dc.date.available.none.fl_str_mv 2021-12-16T22:16:06Z
dc.type.none.fl_str_mv Artículo
dc.type.coar.fl_str_mv http://purl.org/coar/resource_type/c_2df8fbb1
dc.type.coar.none.fl_str_mv http://purl.org/coar/resource_type/c_6501
dc.type.coarversion.none.fl_str_mv http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.driver.none.fl_str_mv info:eu-repo/semantics/article
dc.type.redcol.none.fl_str_mv http://purl.org/redcol/resource_type/ART
dc.type.version.none.fl_str_mv info:eu-repo/semantics/publishedVersion
format http://purl.org/coar/resource_type/c_6501
status_str publishedVersion
dc.identifier.none.fl_str_mv https://doi.org/10.25054/rfs.v5i1.128
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85006716655&doi=10.11144%2fJaveriana.m9-18.ffpp&partnerID=40&md5=0783f70261577cd999bed076beb000e1
dc.identifier.issn.spa.fl_str_mv 01004042
dc.identifier.uri.none.fl_str_mv https://hdl.handle.net/20.500.12494/42217
dc.identifier.bibliographicCitation.spa.fl_str_mv Figueredo S. F., Páez M. S. y Torres F. Indices de poder electrofílico global y local para el estudio teórico de la reactividad química: aplicación a derivados carbonilo a,ß-insaturados. QUIM NOVA. 2017. 40. (5):p. 513-522. .
url https://doi.org/10.25054/rfs.v5i1.128
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85006716655&doi=10.11144%2fJaveriana.m9-18.ffpp&partnerID=40&md5=0783f70261577cd999bed076beb000e1
https://hdl.handle.net/20.500.12494/42217
identifier_str_mv 01004042
Figueredo S. F., Páez M. S. y Torres F. Indices de poder electrofílico global y local para el estudio teórico de la reactividad química: aplicación a derivados carbonilo a,ß-insaturados. QUIM NOVA. 2017. 40. (5):p. 513-522. .
dc.relation.ispartofjournal.spa.fl_str_mv QUIM NOVA
dc.rights.accessrights.none.fl_str_mv info:eu-repo/semantics/closedAccess
dc.rights.coar.none.fl_str_mv http://purl.org/coar/access_right/c_14cb
eu_rights_str_mv closedAccess
rights_invalid_str_mv http://purl.org/coar/access_right/c_14cb
dc.format.extent.spa.fl_str_mv 522-513
dc.publisher.spa.fl_str_mv Sociedade Brasileira de Quimica
institution Universidad Cooperativa de Colombia
repository.name.fl_str_mv Repositorio Institucional Universidad Cooperativa de Colombia
repository.mail.fl_str_mv bdigital@metabiblioteca.com
_version_ 1814246724427841536

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