Palladium Catalysts for Dehydrogenation of Ammonia Borane with Preferential B−H Activation

Cationic Pd(II) complexes catalyzed the dehydrogenation of ammonia borane in the most efficient manner with the release of 2.0 equiv of H2 in less than 60 s at 25 °C. Most of the hydrogen atoms were obtained from the boron atom of the ammonia borane. The first step of the dehydrogenation reaction was elaborated using density functional theory calculations.