Kinetics of enantioselective heterogeneous nanocatalysis with limited cluster occupancy: Beyond the coverage concept

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Theoretical analysis is presented for kinetics of enantioselective reactions on nanocatalysts, when the cross-section of the reacting molecules and the non-reacting modifiers is similar to the size of nanoclusters and only two or three molecules can be adsorbed on a cluster. The rate expressions have been derived, considering the exact configurations of the reactants and a non-reactive modifier, rather than utilizing the classical Langmuirian methodology of the surface coverage. The developed approach was used to explain rate acceleration, enantioselectivity and enantiomeric excess as a function of the modifier concentration, as well as the nonlinear behavior showing even maxima of enantiomeric excess for mixtures of modifiers.