Methylpalladium complexes with pyrimidine-functionalized N-heterocyclic carbene ligands

• Dirk Meyer and
• Thomas Strassner

Beilstein J. Org. Chem. 2016, 12, 1557–1565, doi:10.3762/bjoc.12.150

• complexes were fully characterized by standard methods and in three cases also by a solid state structure. Keywords: alkane activation; alkyl complex; NHC; palladium; solid state structure; Introduction Palladium complexes have been shown to be versatile homogeneous catalysts in a variety of reactions [1

• mechanism and potential intermediates. Quantum chemical (QC) investigations have been very helpful during the last years in elucidating the mechanisms of palladium-catalyzed reactions [26][36]. According to our QC calculations the catalytic cycle for the alkane activation by bis(NHC) palladium complexes