The strong C–H bond activation of hydrocarbons is a difficult reaction in environmental and
biological chemistry. Herein, a high-valent manganese (IV)-hydroxo complex,[MnIV (CHDAP …

The efficiency of catalysts relies on comprehending the underlying kinetics that govern their
performance. Under the steady‐state regime, the “rate” is referred to as the turnover …

A series of cobalt (III)–peroxo complexes,[CoIII (R2-TBDAP)(O2)]+(1 R2; R2= Cl, H, and
OMe), and cobalt (III)–hydroperoxo complexes,[CoIII (R2-TBDAP)(O2H)(CH3CN)] 2+(2 R2) …

Sulfur ligation in metalloenzymes often gives the active site unique properties, whether it is
the axial cysteinate ligand in the cytochrome P450s or the equatorial sulfur/thiol ligation in …

Metal-oxo species are ubiquitous in nature and play a pivotal role in various biological
functions. While the popular Fe IV= O/NTs species have been studied in detail over the …

Au is known to be fairly redox inactive (in catalysis) and bind oxygen adducts only quite
weakly. It is thus rather surprising that stable Au− OH complexes can be synthesized and …

Water oxidation catalysis has garnered significant attention due to its potential for
sustainable energy conversion. Among molecular catalysts,[Fe (OTf) 2 (Me2Pytacn)] …

In recent times, the theoretical prediction of catalytic efficiency is of utmost urgency. With the
advent of density functional theory (DFT), reliable computations can delineate a quantitative …

In the past few decades, the mechanistic features of various first‐row transition metal‐oxo
dependent metalloenzymes and their biomimic models have been explored using various …

The strong C− H bond activation of hydrocarbons is a difficult reaction in environmental and
biological chemistry. Herein, a high-valent manganese (IV)-hydroxo complex,[MnIV (CHDAP …