The most fundamental concepts in chemistry are structure, energetics, reactivity and their
inter-relationships, which are indispensable for promoting chemistry into a rational science …

The challenge of activating inert C–H bonds motivates a study of catalysts that draws from
what can be accomplished by natural enzymes and translates these advantageous features …

Proton‐coupled electron transfer (PCET) events play a key role in countless chemical
transformations, but they come in many physical variants which are hard to distinguish …

A systematic study of protodeauration, a crucial step often found in gold catalysis, was
performed using isolated vinyl gold (I) complexes. By varying substituents on gold …

In this research article, we describe a 4H+/4e–electron-coupled-proton buffer (ECPB) based
on Cu and a redox-active ligand. The protonated/reduced ECPB (complex 1:[Cu (8H+/14e–)] …

High-valent cobalt oxides play a pivotal role in alternative energy technology as catalysts for
water splitting and as cathodes in lithium-ion batteries. Despite this importance, the …

High-valent metal–oxo species serve as key intermediates in the activation of inert C–H
bonds. Here, we present a comprehensive DFT analysis of the parameters that have been …

A series of manganese (II) and oxomanganese (IV) complexes supported by neutral,
pentadentate ligands with varied equatorial ligand-field strength (N3pyQ, N2py2I, and …

The copper-catalyzed enantioselective intramolecular hydroalkoxylation of unactivated
alkenes for the synthesis of tetrahydrofurans, phthalans, isochromans, and morpholines from …

With the goal of understanding how distal charge influences the properties and hydrogen
atom transfer (HAT) reactivity of the [CuOH] 2+ core proposed to be important in oxidation …