An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands

Abstract

The coordination characteristics and donor/acceptor properties of a series of 2-pyridyl substituted phosphine ligands have been investigated using structural, spectroscopic and DFT calculational studies. A range of different coordination modes are observed in Mo and W carbonyl complexes of tris-2-pyridyl-phosphine ligands of the type P(2-py’) (2-py’ = substituted or unsubstituted 2-pyridyl group), including an unprecedented example exhibiting N,N′,μ₂-π coordination. DFT calculations were used to assess the relative donor/acceptor properties of a range of related 2-pyridyl-phosphine ligands with respect to PPh₃ and P^tBu₃.