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

摘要

A computational 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 Λ and Δ 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