The oxidation of aliphatic aldehydes by benzyltrimethylammonium tribromide involves the formation of an intermediate complex and its subsequent decomposition in the rate-determining step to the corresponding carboxylic acid.
Molecular dynamics simulations based on density functional theory were employed to investigate the fate of a hydrogen molecule shot with different kinetic energy toward a hydrogenated palladium cluster anchored on the vacant site of a defective graphene sheet. Hits resulting in H2 adsorption occur until the cluster is fully saturated. The influence of H content over Pd with respect to atomic hydrogen spillover onto graphene was investigated. Calculated energy barriers of ca. 1.6 eV for H-spillover suggest that the investigated Pd/graphene system is a good candidate for hydrogen storage.
Kinetics and Mechanism of Oxidation of Aliphatic Aldehydes by Benzyltrimethylammonium tribromide