Abstract
Homo- and heterodicarbene palladium complexes bearing caffeine-derived N-heterocyclic carbene ligands were synthesized and fully characterized by NMR spectroscopy, mass spectrometry, and X-ray diffraction analysis. The superior acidity of the alkylated caffeine-based salts also allowed the isolation of zwitterionic caffeine monocarbene palladium complexes, which showed outperforming catalytic activities in the cyanation reactions of aryl halides.
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