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A Theoretical Study of the Relationship between the Electrophilicity ω Index and Hammett Constant σ(p) in [3+2] Cycloaddition Reactions of Aryl Azide/Alkyne Derivatives

The relationship between the electrophilicity ω index and the Hammett constant σ(p) has been studied for the [2+3] cycloaddition reactions of a series of para-substituted phenyl azides towards para-substituted phenyl alkynes. The electrophilicity ω index—a reactivity density functional theory (DFT)...

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Detalles Bibliográficos
Autores principales: Ben El Ayouchia, Hicham, Anane, Hafid, El Idrissi Moubtassim, Moulay Lahcen, Domingo, Luis R., Julve, Miguel, Stiriba, Salah-Eddine
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273986/
https://www.ncbi.nlm.nih.gov/pubmed/27801811
http://dx.doi.org/10.3390/molecules21111434