ÍNdices 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:
2023
Institución:
Universidad Cooperativa de Colombia
Repositorio:
Repositorio UCC
Idioma:
OAI Identifier:
oai:repository.ucc.edu.co:20.500.12494/49515
Acceso en línea:
https://doi.org/10.21577/0100-4042.20170031
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85023194110&doi=10.21577%2f0100-4042.20170031&partnerID=40&md5=c5b633d7cafde5fa940e0cb317767613
https://hdl.handle.net/20.500.12494/49515
Palabra clave:
CONCEPTUAL DFT
CHEMICAL REACTIVITY
ELECTROPHILIC POWER
NUCLEOPHILIC POWER
UNSATURATED CARBONYL COMPOUNDS
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openAccess
License
http://purl.org/coar/access_right/c_abf2
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oai_identifier_str oai:repository.ucc.edu.co:20.500.12494/49515
network_acronym_str COOPER2
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spelling Figueredo S.F.Páez M.S.Torres Hoyos, Francisco José2023-05-24T16:21:29Z2023-05-24T16:21:29Z01/06/2017https://doi.org/10.21577/0100-4042.20170031https://www.scopus.com/inward/record.uri?eid=2-s2.0-85023194110&doi=10.21577%2f0100-4042.20170031&partnerID=40&md5=c5b633d7cafde5fa940e0cb31776761301004042https://hdl.handle.net/20.500.12494/49515Figueredo S.F.,Páez M.S.,Torres Hoyos Francisco.ÍNdices 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. 513-522In 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.513-522Sociedade Brasileira de QuimicaCONCEPTUAL DFTCHEMICAL REACTIVITYELECTROPHILIC POWERNUCLEOPHILIC POWERUNSATURATED CARBONYL COMPOUNDSÍNdices 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/openAccesshttp://purl.org/coar/access_right/c_abf2Publication20.500.12494/49515oai:repository.ucc.edu.co:20.500.12494/495152024-08-20 16:16:52.948metadata.onlyhttps://repository.ucc.edu.coRepositorio Institucional Universidad Cooperativa de Colombiabdigital@metabiblioteca.com
dc.title.spa.fl_str_mv ÍNdices de poder electrofÍlico global y local para el estudio teÓrico de la reactividad quÍmica: aplicaciÓn a derivados carbonilo a,ß-insaturados
title ÍNdices de poder electrofÍlico global y local para el estudio teÓrico de la reactividad quÍmica: aplicaciÓn a derivados carbonilo a,ß-insaturados
spellingShingle ÍNdices de poder electrofÍlico global y local para el estudio teÓrico de la reactividad quÍmica: aplicaciÓn a derivados carbonilo a,ß-insaturados
CONCEPTUAL DFT
CHEMICAL REACTIVITY
ELECTROPHILIC POWER
NUCLEOPHILIC POWER
UNSATURATED CARBONYL COMPOUNDS
title_short ÍNdices de poder electrofÍlico global y local para el estudio teÓrico de la reactividad quÍmica: aplicaciÓn a derivados carbonilo a,ß-insaturados
title_full ÍNdices de poder electrofÍlico global y local para el estudio teÓrico de la reactividad quÍmica: aplicaciÓn a derivados carbonilo a,ß-insaturados
title_fullStr ÍNdices de poder electrofÍlico global y local para el estudio teÓrico de la reactividad quÍmica: aplicaciÓn a derivados carbonilo a,ß-insaturados
title_full_unstemmed ÍNdices de poder electrofÍlico global y local para el estudio teÓrico de la reactividad quÍmica: aplicaciÓn a derivados carbonilo a,ß-insaturados
title_sort ÍNdices 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 CONCEPTUAL DFT
CHEMICAL REACTIVITY
ELECTROPHILIC POWER
NUCLEOPHILIC POWER
UNSATURATED CARBONYL COMPOUNDS
topic CONCEPTUAL DFT
CHEMICAL REACTIVITY
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 2023
dc.date.issued.none.fl_str_mv 01/06/2017
dc.date.accessioned.none.fl_str_mv 2023-05-24T16:21:29Z
dc.date.available.none.fl_str_mv 2023-05-24T16:21:29Z
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
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dc.type.version.none.fl_str_mv info:eu-repo/semantics/publishedVersion
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status_str publishedVersion
dc.identifier.none.fl_str_mv https://doi.org/10.21577/0100-4042.20170031
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85023194110&doi=10.21577%2f0100-4042.20170031&partnerID=40&md5=c5b633d7cafde5fa940e0cb317767613
dc.identifier.issn.spa.fl_str_mv 01004042
dc.identifier.uri.none.fl_str_mv https://hdl.handle.net/20.500.12494/49515
dc.identifier.bibliographicCitation.spa.fl_str_mv Figueredo S.F.,Páez M.S.,Torres Hoyos Francisco.ÍNdices 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/10.21577/0100-4042.20170031
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85023194110&doi=10.21577%2f0100-4042.20170031&partnerID=40&md5=c5b633d7cafde5fa940e0cb317767613
https://hdl.handle.net/20.500.12494/49515
identifier_str_mv 01004042
Figueredo S.F.,Páez M.S.,Torres Hoyos Francisco.ÍNdices 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/openAccess
dc.rights.coar.none.fl_str_mv http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
rights_invalid_str_mv http://purl.org/coar/access_right/c_abf2
dc.format.extent.spa.fl_str_mv 513-522
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
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