Synthesis and Structural Characterization of Metal Complexes Based on Pyrazole/imidazolium Chlorides

[[abstract]]A series of imidzoalium salt, L � HCl, for the potentially bidentate pyrazole/N-heterocyclic carbene was synthesized. Reactions of a 2:1 mixture between L � HCl bearing bulky N-substitution and Ag2O produced Ag(L)Cl, whereas a novel compound with unique stoichiometry AgL2(AgCl)0.5Cl was produced from L � HCl bearing N-methyl group under identical condition. Reactions of L � HCl with PdCl2 produced zwitterionic PdIICl3L � H. Selected structural determinations on L � HCl, Ag(L)Cl, AgL2(AgCl)0.5Cl, and PdIICl3L � H revealed intriguing crystal chemistry in which the less-stable gauche rotamers were obtained exclusively. A preliminary application of the zwitterionic complexes, PdIICl3L � H, in Heck coupling reaction of aryl bromide with n-butyl acrylate shows effective activity