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...
- 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
- Rights
- openAccess
- License
- http://purl.org/coar/access_right/c_abf2
id |
COOPER2_bdb6c7c6432a425b1d358401c52e6f4b |
---|---|
oai_identifier_str |
oai:repository.ucc.edu.co:20.500.12494/49515 |
network_acronym_str |
COOPER2 |
network_name_str |
Repositorio UCC |
repository_id_str |
|
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 |
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/10.21577/0100-4042.20170031 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 |
_version_ |
1814246689360314368 |