• Computational Studies on the Mechanisms for Deaminative Amide Hydrogenation by Homogeneous Bifunctional Catalysts 

      Artús Suàrez, Lluís; Balcells, David; Nova, Ainara (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-12-14)
      The deaminative hydrogenation of amides is one of the most convenient pathways for the synthesis of amines and alcohols. The ideal source of reducing equivalents for this reaction is molecular hydrogen, though, in practice, this approach requires high pressures and temperatures, with many catalysts achieving only small turnover numbers and frequencies. Nonetheless, during the last ten years, this ...
    • Rational selection of co-catalysts for the deaminative hydrogenation of amides 

      Artús Suàrez, Lluís; Jayarathne, Upul; Balcells, David; Bernskoetter, Wesley H.; Hazari, Nilay; Jaraiz, Martin; Nova, Ainara (Journal article; Tidsskriftartikkel; Peer reviewed, 2020-01-20)
      The catalytic hydrogenation of amides is an atom economical method to synthesize amines. Previously, it was serendipitously discovered that the combination of a secondary amide co-catalyst with (<sup>iPr</sup>PNP)Fe(H)(CO) (<sup>iPr</sup>PNP = N[CH<sub>2</sub>CH<sub>2</sub>(P<sup>i</sup>Pr<sub>2</sub>)]<sub>2</sub>−), results in a highly active base metal system for deaminative amide hydrogenation. ...