Theoretical Study of 1,3-Dipolar Cycloadditions Regioselectivity of Benzyl Azide with Glycosyl-O Acetylene Using Density Functional Theory (DFT)

Theoretical Study of 1,3-Dipolar Cycloadditions Regioselectivity of Benzyl Azide with Glycosyl-O Acetylene Using Density Functional Theory (DFT)

<p class="orbitalabstract">A theoretical study of 1,3-cycloaddition has been carried out using density functional theory (DFT) methods at the B3LYP/6-31G* level. The regioselectivity of the reaction have been clarified through different theoretical approaches: Case of a Two-Center Pr...

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Bibliographic Details
Main Authors: Adib Ghaleb, Adnane Aouidate, Abdelouahid Sbai, Tahar Lakhlifi, Hamid Maghat, Mouhamed Bouachrine
Format: Article
Language:English
Published: Universidade Federal de Mato Grosso do Sul 2017-12-01
Series:Orbital: The Electronic Journal of Chemistry
Subjects:
1, 3-dipolar cycloadditions
1,2,3-triazole
regioselectivity
dft calculations
fukui indices.
Online Access:http://orbital.ufms.br/index.php/Chemistry/article/view/1017

Internet

http://orbital.ufms.br/index.php/Chemistry/article/view/1017

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