92897-10-4Relevant academic research and scientific papers
Dynamic origin of the stereoselectivity of a nucleophilic substitution reaction
Bogle, Xavier S.,Singleton, Daniel A.
, p. 2528 - 2531 (2012)
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.
