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...

Full description

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
Description
Summary: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.