Theoretical and Computational Chemistry

Transition between [R]- and [S]-Stereoisomers without Bond Breaking

Abstract

We for the first time shown that transition between (R) and (S) stereoisomers via a planar transition state or an intermediate structure without having to break a bond is possible. Rigorous theoretical calculations have been used to study this novel phenomenon and to characterize the energetic, structure, dynamic and kinetic properties.

Content

Thumbnail image of pccp_final.pdf

Supplementary material

Thumbnail image of out5a-1.mp4
out5a-1
Thumbnail image of pccp_si.pdf
pccp si