Palladium(II) Triazolylidene/Phosphine Complex as an Efficient Catalyst for Suzuki–Miyaura Coupling Reactions in Water

Abstract Palladium(II) complexes with a combination of mesoionic carbene (MIC) and phosphine ligands have received huge importance in recent times due to their catalytic benefits. Two new mononuclear Pd II mesoionic carbene (MIC) complexes with pyridine or PPh 3 as ancillary ligands were synthesized starting from the corresponding triazolium salt. These complexes possess a bulky Dipp substitution at the N1 position and a bromophenyl at the C4 position of the triazolylidene moiety. An in‐depth spectroscopic analysis ( 1 H, 13 C{ 1 H}, and 2D NMR) has been executed for these complexes. The molecular structure of the palladium(II) complex having a combination of MIC and PPh 3 ligands trans‐ to each other has been established from the single crystal XRD measurement. Both the aforementioned complexes have been utilized as highly active precatalysts in the Suzuki–Miyaura coupling reactions in water. The catalytic findings unequivocally demonstrate the supremacy of the MIC/phosphine complex over the MIC/pyridine complex.