Binding a meridional ligand in a facial geometry: A square peg in a round hole

Briana R. Schrage, Dominick Vitale, Kimberly A. Kelly, Victor N. Nemykin, Richard S. Herrick, Christopher J. Ziegler

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

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 investigated 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.

Original languageEnglish
Article number121331
JournalJournal of Organometallic Chemistry
Volume919
DOIs
StatePublished - Jul 15 2020
Externally publishedYes

Funding

CJZ and RSH acknowledge the National Institutes of Health ( 1R15GM119030 ) for support of this research.

Keywords

  • Bis(pyridylimino)isoindoline
  • DFT/TDDFT calculations
  • Rhenium tricarbonyl
  • Transition metal geometry
  • X-ray crystallography

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