Solvent effects and potential of mean force study of the SN2 reaction of CH3+CN− in water

Solvent effects and potential of mean force study of the S_N2 reaction of CH₃+CN⁻ in water

Li Chen, Liu Peng, Li Yongfang, Wang Dunyou^‡

(color online) Structures of (a)–(j) the ten snapshots along the NEB reaction pathway for the reaction CH 3 F + CN − → CH 3 CN + F − in aqueous solution. Panel (a) is the structure of the reactant state, panel (e) is the transition state, and panel (j) is the product state for the reaction. The indicated distances are in Å.