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Keywords:

  • ab initio calculations;
  • amines;
  • catalysis;
  • hydrogenation;
  • palladium

Abstract

The facile hydrogenolysis of various nitriles, imines, and amines over Pd/C has been achieved by using straightforward and relatively mild conditions. Substrates that contain an aryl group adjacent to the nitrogen-containing functionality were hydrogenolyzed most effectively. The stabilization of the proposed η2-coordinated palladium intermediate by this group was partly responsible for this observation and is borne out by ab initio calculations.