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

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

The relationship between the electrophilicity ω index and the Hammett constant σp 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) de...

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Bibliographic Details
Main Authors: Hicham Ben El Ayouchia, Hafid Anane, Moulay Lahcen El Idrissi Moubtassim, Luis R. Domingo, Miguel Julve, Salah-Eddine Stiriba
Format: Article
Language:English
Published: MDPI AG 2016-10-01
Series:Molecules
Subjects:
[2+3] cycloaddition reactions
arylazides
arylalkynes
substituent effects
electrophilicity index
Hammett constants
Online Access:http://www.mdpi.com/1420-3049/21/11/1434

Internet

http://www.mdpi.com/1420-3049/21/11/1434

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