title: The alpha-effect in gas-phase SN2 reactions revisited.
abstract: This paper re-examines gas-phase S(N)2 reactions at saturated carbon for model reactions Nu(-) + CH(3)Cl --> CH(3)Nu + Cl(-) (Nu(-) = HO(-), MeO(-), NH(2)(-), HS(-), Cl(-), Br(-), I(-), HOO(-), MeOO(-), HSS(-), and NH(2)NH(-)) using the G2(+) theory. The calculated results show that the alpha-effect does exist in the gas-phase S(N)2 reaction at the sp(3) carbon, contrary to the currently accepted notion of the absence of the alpha-effect in the gas phase.
authors.affiliation: College of Chemistry, Sichuan University, Chengdu, PR China. yiren57@hotmail.com
authors.forename: Yi
authors.initials: Y
authors.lastname: Ren
authors.forename: Hiroshi
authors.initials: H
authors.lastname: Yamataka