High-valent metal–oxo species with multiply-bonded M–O groups have been proposed as
key intermediates in many biological and abiological catalytic oxidation reactions. These …

Utilization of O2 as an abundant and environmentally benign oxidant is of great interest in
the design of bioinspired synthetic catalytic oxidation systems. Metalloenzymes activate O2 …

In nature, nonheme iron enzymes use dioxygen to generate high-spin iron (IV)= O species
for a variety of oxygenation reactions. Although synthetic chemists have long sought to …

We introduce density functional theory and review recent progress in its application to
transition metal chemistry. Topics covered include local, meta, hybrid, hybrid meta, and …

High-valent iron-oxo intermediates have often been implicated, and in some cases
identified, as the active oxidant in oxygen activating nonheme iron enzymes. Recent …

The selective functionalization of strong C− H bonds and the oxidation of water by cheap
and nontoxic metals are some of the key targets of chemical research today. It has been …

In an era dominated by the utilization of hydrocarbon mixtures (ie, oil and natural gas) as
feedstocks for the chemical industry, the functionalization of CH bonds, particularly in a …

In a fundamental process throughout nature, reduced iron unleashes the oxidative power of
hydrogen peroxide into reactive intermediates. However, notwithstanding much work, the …

Conspectus 2003 marked a banner year in the bioinorganic chemistry of mononuclear non-
heme iron enzymes. The first non-heme oxoiron (IV) intermediate (called J) was trapped and …

Enzymes are highly efficient catalysts in Nature that often react with high stereo-, chemo-,
and regioselectivity. Usually, enzymes achieve this selectivity through substrate binding and …