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Binding a Meridional Ligand in a Facial Geometry: A Square Peg in a Round Hole
Briana R Schrage1, Dominick Vitale1, Kimberly A Kelly2
1Department of Chemistry, University of Akron, Akron, OH, 44312-3601, USA.
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.
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