Theoretical Investigation of Stereochemistry of Halogen Addition to Alkenes

Razavi,, Razieh; Zahedifar, Mahbobeh; Ahmadi,, Seyed Ali

Theoretical Investigation of Stereochemistry of Halogen Addition to Alkenes

Document Type : Research Article

Authors

¹ Department of Chemistry, Faculty of Basic Sciences, Jiroft University, Jiroft, I.R. IRAN

² Department of Chemistry, Kerman Branch, Islamic Azad University, Kerman, I.R. IRAN

Abstract

Formation processes require relatively low energy. The chemical properties of a molecule, whether in configuration or formally, can affect its reactivity. In this study, the reaction of increasing halogens to an alkene with methyl and carbohydrate substituents in the presence of different nucleobodies, including HCN, HPMe2, and B3LYP / 6-311G and B3LYP / 6-311G (d, p) HPMePh was investigated and the structural optimization and reactivity parameters of the spatial composition were calculated in different reactions. The results showed that the increase in bromine to cyclohexone with methyl substitutions in the nucleophilic environment of HPMePh is more stable.

Keywords

Main Subjects

Computational Chemistry

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