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...
- 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
- Idioma:
- 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
- Rights
- closedAccess
- License
- http://purl.org/coar/access_right/c_14cb
| 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. |
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