Computational study of the chromatographic enantioseparation of tris(acetylacetonato)cobalt(III) complexes on an arginine complex of cobalt(III) acting as a chiral selector

Abstract

Acomputational procedure for the modelling of chromatographic separation of neutral tris(acetylacetonato)cobalt(III) into enantiomers on a dinitrobis(arginine)cobalt(III) complex as a chiral selector is described. Predicted elution order calculated from the differences in total energy of interaction for L and D selectands is in agreement with the experimental results. Predictive power of the method and its possible practical applications in designing efficient chiral stationary phases is demonstrated.

Keywords

• Co(III) complexes
• chromatographic enantioseparation
• molecular mechanics
• computational modelling
• chirality