A series of N-heterocyclic carbene-PdCl 2 -imidazole [NHC-Pd(II)-Im] complexes were synthesized and the structure of most of them was unambiguously determined by X-ray single-crystal diffraction. The structure-activity relationship of these complexes was investigated for the Suzuki-Miyaura coupling between 4-methoxyphenyl chloride and phenylboronic acid, and the effect of the NHCs and Im moieties were fully discussed. The sterically hindered IPr-based complex showed the highest catalytic activity.
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