Dynamic origin of the stereoselectivity of a nucleophilic substitution reaction. Academic Article uri icon

abstract

  • 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.

altmetric score

  • 13.344

author list (cited authors)

  • Bogle, X. S., & Singleton, D. A

citation count

  • 48

complete list of authors

  • Bogle, Xavier S||Singleton, Daniel A

publication date

  • January 2012