Binding a Meridional Ligand in a Facial Geometry: A Square Peg in a Round Hole.

ABSTRACT: The bis(pyridylimino)isoindoline (BPI) ligand is a tridentate chelate that binds to metals via a meridional coordination mode. However, when this ligand forms a complex with Re(CO)₃, an almost exclusively facial moiety, the BPI ligand deforms to coordinate in a facial mode. We have in-vestigated this deformation via structural and theoretical means, and the non-planar binding mode of the ligand bathochromically shifts the metal to ligand charge transfer (MLCT) transition.

SUBMITTER: Schrage BR 

PROVIDER: S-EPMC8340874 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature