Dynamic Origin of the Stereoselectivity of a Nucleophilic Substitution Reaction

作者：Bogle Xavier S; Singleton Daniel A^*

来源：Organic Letters, 2012, 14(10): 2528-2531.

DOI：10.1021/ol300817a

A nucleophilic substitution on a dichlorovinyl ketone was studied experimentally and computationally. A mixture of products is observed experimentally, but a conventional computational analysis does not account for the formation of the minor stereoisomer. Instead, the product mixture is predicted accurately from a dynamic trajectory study on a bifurcating energy surface. The dynamic origin of the stereoselectivity of the reaction is discussed.

• 出版日期2012-5-18