3‑Bromopyridine As a Sixth Ligand in Sulfoxide-Based Hoveyda Complexes: A Study on Catalytic Properties

A novel series of sulfoxide complexes with an additional 3-bromopyridine ligand was obtained and characterized. The initiators were compared in ring-closing metathesis reactions, showing a faster initiation of six-coordinated analogues. A theoretical study was performed utilizing the density functional theory to explain the observed reactivity differences. The results confirmed a different initiation mechanism for both compound classes, with a multistep sequence of initiation for pyridine-containing ones, explaining differences in catalytic behavior.