environmental remediation

TAML- and Buffer-Catalyzed Oxidation of Picric Acid by H2O2: Products, Kinetics, DFT, and the Mechanism of Dual Catalysis

Studies of the oxidative degradation of picric acid (2,4,6-trinitrophenol) by H2O2 catalyzed by a fluorine-tailed tetraamido macrocyclic ligand (TAML) activator of peroxides [FeIII{4,5-Cl2C6H2-1,2-(NCOCMe2NCO)2CF2}(OH2)]??? (2) in neutral and mildly …

Experimental and theoretical evidence for multiple FeIV reactive intermediates in TAML-activator catalysis: Rationalizing a counterintuitive reactivity order

In the first in-depth study of the reactivity of the oxidized TAML species, the non-monotonic reactivity pattern could be explained by the presence of competing contributions from the electronic and the solvation energy change to the overall free energy change for the redox process.