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.