Synthesis and a combined experimental/theoretical structural study of a comprehensive set of Pd/NHC complexes witho-,m-, andp-halogen-substituted aryl groups (X = F, Cl, Br, CF3)

A complete series of free NHC ligands and Pd/NHC complexes with –F, –Cl, –Br, and –CF 3 substituents at the o -, m -, and p -positions of the aryl ring were synthesized and characterized. An increase of catalytic activity was observed in the Mizoroki–Heck reaction.