Understanding the mechanism and regioselectivity of the copper(i) catalyzed [3 + 2] cycloaddition reaction between azide and alkyne: a systematic DFT study

The copper(i) catalyzed azide–alkyne [3 + 2] cycloaddition (32CA) reaction and its uncatalyzed version have been studied for systematic understanding of this relevant organic transformation, using DFT calculations at the B3LYP/6-31G(d) (LANL2DZ for Cu) computational levels. In the absence of a coppe...

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Detalles Bibliográficos
Autores principales: Ben El Ayouchia, Hicham, Bahsis, Lahoucine, Anane, Hafid, Domingo, Luis R., Stiriba, Salah-Eddine
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9078510/
https://www.ncbi.nlm.nih.gov/pubmed/35539150
http://dx.doi.org/10.1039/c7ra10653j

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9078510/
https://www.ncbi.nlm.nih.gov/pubmed/35539150
http://dx.doi.org/10.1039/c7ra10653j

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