A SN2 reaction that avoids its deep potential energy minimum.

@article{Sun2002ASR,
  title={A SN2 reaction that avoids its deep potential energy minimum.},
  author={Lipeng Sun and Kihyung Song and William L. Hase},
  journal={Science},
  year={2002},
  volume={296 5569},
  pages={875-8}
}
Chemical dynamics trajectory simulations were used to study the atomic-level mechanisms of the OH- + CH3F --> CH3OH + F- SN2 nucleophilic substitution reaction. The reaction dynamics, from the [OH...CH3...F]- central barrier to the reaction products, are simulated by ab initio direct dynamics. The reaction's potential energy surface has a deep minimum in… CONTINUE READING