title: Theoretical studies on cycloaddition reactions between 2-azoniaallene cations and olefins.
abstract: The mechanisms of cycloaddition reactions between 2-azoniaallene cations and olefins have been explored at the B3LYP/6-31G level. It is found that the positive charge in 2-azoniaallene makes the reaction more complicated. For the reactions between olefins with Cl groups or CH(3) groups and 2-azoniaallene, the typical carboniums have been located along the reaction path. In addition, for the reactions between 1,1-dimethylethene and 1,3-dichrolo-2-azoniaallene, different paths and products have been rationalized and verified.
authors.affiliation: Department of Chemistry, Beijing Normal University, Beijing 100875, China.
authors.forename: Si-Ya
authors.initials: SY
authors.lastname: Yang
authors.forename: Cheng-Ke
authors.initials: CK
authors.lastname: Sun
authors.forename: De-Cai
authors.initials: DC
authors.lastname: Fang