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

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 Δ 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.

Abstract licence: CC BY

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