화학공학소재연구정보센터
Journal of the American Chemical Society, Vol.121, No.28, 6690-6699, 1999
Intramolecular microsolvation of S(N)2 transition states
Introduction of an omega-substituent (CN, Cl, or OH) onto a primary n-alkyl chloride significantly enhances the rate of S(N)2 chloride exchange in the gas phase. Trends in reactivity suggest that the rate acceleration depends primarily on through-space solvation of the transition state, especially charge-dipole interactions. The potential energy surfaces and dynamics of these reactions are discussed.