Hydrogenation of Unsaturated Aldehydes on Pt and Pd Surfaces: The Steric Effects on Selectivity

Surface coverage and substitutes has a significant effects on the activation barriers in hydrogenation of α,β-unsaturated aldehydes with transition metal catalysts. Herein, we present DFT calculations which are in agreement with experimentally observed selectivities and apply well with theory such as the classical BEP relation.