Iron and manganese oxo complexes, oxo wall and beyond
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 …
key intermediates in many biological and abiological catalytic oxidation reactions. These …
Computational approach to molecular catalysis by 3d transition metals: challenges and opportunities
Computational chemistry provides a versatile toolbox for studying mechanistic details of
catalytic reactions and holds promise to deliver practical strategies to enable the rational in …
catalytic reactions and holds promise to deliver practical strategies to enable the rational in …
Single-Atom MnN5 Catalytic Sites Enable Efficient Peroxymonosulfate Activation by Forming Highly Reactive Mn(IV)–Oxo Species
Four-nitrogen-coordinated transitional metal (MN4) configurations in single-atom catalysts
(SACs) are broadly recognized as the most efficient active sites in peroxymonosulfate (PMS) …
(SACs) are broadly recognized as the most efficient active sites in peroxymonosulfate (PMS) …
An enzymatic platform for the asymmetric amination of primary, secondary and tertiary C(sp3)–H bonds
The ability to selectively functionalize ubiquitous C–H bonds streamlines the construction of
complex molecular architectures from easily available precursors. Here we report enzyme …
complex molecular architectures from easily available precursors. Here we report enzyme …
High-valent nonheme iron-oxo complexes: Synthesis, structure, and spectroscopy
AR McDonald, L Que Jr - Coordination Chemistry Reviews, 2013 - Elsevier
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 …
identified, as the active oxidant in oxygen activating nonheme iron enzymes. Recent …
C H Bond Activation in Transition Metal Species from a Computational Perspective
Alkanes constitute the cheapest and most abundant feedstock for organic chemicals.
However, the redistribution of CsC and CsH bonds in hydrocarbons into more sophisticated …
However, the redistribution of CsC and CsH bonds in hydrocarbons into more sophisticated …
Design and optimization of catalysts based on mechanistic insights derived from quantum chemical reaction modeling
Until recently, computational tools were mainly used to explain chemical reactions after
experimental results were obtained. With the rapid development of software and hardware …
experimental results were obtained. With the rapid development of software and hardware …
Oxidation Reactions with Bioinspired Mononuclear Non‐Heme Metal–Oxo Complexes
X Engelmann, I Monte‐Pérez… - Angewandte Chemie …, 2016 - Wiley Online Library
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 …
and nontoxic metals are some of the key targets of chemical research today. It has been …
Inspiration from Nature: influence of engineered ligand scaffolds and auxiliary factors on the reactivity of biomimetic oxidants
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 …
and regioselectivity. Usually, enzymes achieve this selectivity through substrate binding and …
Reactivity of high-valent iron–oxo species in enzymes and synthetic reagents: a tale of many states
The Account discusses the phenomenon of two-state reactivity (TSR) or multistate reactivity
(MSR) in high-valent metal–oxo reagents, projecting its wide-ranging applicability starting …
(MSR) in high-valent metal–oxo reagents, projecting its wide-ranging applicability starting …