Cover Picture: Fast Prediction of Selectivity in Heterogeneous Catalysis from Extended Brønsted–Evans–Polanyi Relations: A Theoretical Insight (Angew. Chem. Int. Ed. 47/2009)

Abstract

Brønsted–Evans–Polanyi relations are famous in heterogeneous catalysis for their fast prediction of activation barriers with the sole knowledge of the reaction enthalpies. This model has now been extended by D. Loffreda et al. to the hydrogenation of unsaturated aldehydes on platinum. In their Communication on page 8978 ff., they describe on the basis of density functional theory calculations a linear relation connecting the activation barrier with the stability of the initial precursor state.