Spontaneous enantiomeric resolution in a smectic phase and its relation to a large conformational asymmetry of the enantiomers.

Abstract

Spontaneous optical resolution of a racemic diastereomer, (R,S)-β-Me-TFMHPOBC in a smectic phase were studied by molecular dynamics (MD) simulations. We found the molecular conformation symmetries of the two enantiomer were largely different each other depending on their chiralities. Special attention was paid on the relationship between this conformational asymmetry and spontaneous optical resolution in this racemic system.