Rebound or Cage Escape? The Role of the Rebound Barrier for the Reactivity of Non-heme High-valent FeIV=O species

Owing to their high reactivity and selectivity, variations in the spin ground state and a range of possible pathways, high-valent FeIV=O species are popular models with potential bioinspired applications. An interesting example of a structure-reactivity pattern is the detailed study with five nonheme amine-pyridine pentadentate ligand FeIV=O species, including N4py: [(L1)FeIV=O]2+ (1), bntpen: [(L2)FeIV=O]2+ (2), py2tacn: [(L3)FeIV=O]2+ (3), and two isomeric bispidine derivatives: …