%0 Journal Article
%T Synthesis, structural characterization and comparison of experimental and theoretical results by DFT level of molecular structures of 1,2,3-triazoles derived from 5-chloroisatin
%A Mohammed Skalli
%A Omar Senhaji
%A Youssef Kandri Rodi
%A Zineb Tribak
%J -
%D 2017
%R 10.14419/ijac.v5i2.8359
%X This work deals about the synthesis, NMR characterization and the density functional method (B3LYP) with the 6-31G basis set of 1, 3-dipolar cycloaddition reactions between the two azides as dipoles and propargylchloroisatin as dipolarophile. Furthermore, DFT calculations were used to study the nucleophile¨Celectrophile interactions of the azides and dipolarophile and also the stability between the regioisomers comparing their energy. Our calculations are in a good agreement with the experimental findings.
%U https://www.sciencepubco.com/index.php/IJAC/article/view/8359