%0 Journal Article
%T Theoretical approach of the catalytic hydrochlorination of the 3-amino-2H-1,2,4-triazole
%A Jean Baptiste Mensah
%A Gaston A. Kpotin
%A Georges Accrombessi
%J Bulletin of the Chemical Society of Ethiopia
%D 2009
%I Chemical Society of Ethiopia
%X This study was aimed to determine the sites of protonation of the molecule during the hydrochlorination of 3-amino-2H-1,2,4-triazole. The catalytic reaction was carried out on the site MoS3H3+ and on the site ZnCl2. On both catalysts, the reaction led to a selective protonation of the molecule on the same atom of nitrogen of the cycle. But the reaction is endothermic and exothermic on the MoS3H3+ and ZnCl2 catalytic sites, respectively. The calculation method used is Hartree-Fock (HF) in the lanl2dz basis set.
%K Catalytic hydrochlorination
%K 3-Amino-2H-1
%K 2
%K 4-triazole
%K Protonation
%K MoS3H3+
%K ZnCl2
%K Endothermic
%K Exothermic
%U http://www.ajol.info/index.php/bcse/article/view/44967