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Comparative Study of the Influence Effect of the Zinc Chloride (zncl2) and the Aluminium Chloride (alcl3) on the 1h-azirene Hydrochlorination

Author Affiliations

  • 1Laboratoire de Chimie Théorique et de Spectroscopie Moléculaire, Faculté des Sciences et Techniques, Université d’Abomey-Calavi, BENIN

Res.J.chem.sci., Volume 1, Issue (4), Pages 40-48, July,18 (2011)


Hydrochlorination of 1H-azirene (CN) is modeled without catalyst and with two catalysts: alumina chloride (AlCl) and zinc chloride (ZnCl) respectively. The product of the reaction performed without catalyst is 2-chloroethanimine; the same product is obtained when the reaction performed on alumina chloride. With zinc chloride, the product of reaction is 2-chloroaziridine. On the basis of the calculations performed by HF, MP2 and DFT methods in lanl2dz basis set, a mechanism of each reaction has been proposed.


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