Molecular designs for controlling the local environments around metal ions
SA Cook, AS Borovik - Accounts of chemical research, 2015 - ACS Publications
Conspectus The functions of metal complexes are directly linked to the local environment in
which they are housed; modifications to the local environment (or secondary coordination …
which they are housed; modifications to the local environment (or secondary coordination …
Terminal oxo and imido transition‐metal complexes of groups 9–11
K Ray, F Heims, FF Pfaff - European Journal of Inorganic …, 2013 - Wiley Online Library
This review summarizes the properties of group 9–11 metal–oxo and metal–imido
complexes, which have been either isolated or proposed as reactive intermediates in metal …
complexes, which have been either isolated or proposed as reactive intermediates in metal …
Fe2+/HClO Reaction Produces FeIVO2+: An Enhanced Advanced Oxidation Process
S Liang, L Zhu, J Hua, W Duan, PT Yang… - Environmental …, 2020 - ACS Publications
The reaction between Fe2+ and HClO constitutes a promising advanced oxidation process
(AOP) for removing pollutants from wastewater, and• OH has been considered the dominant …
(AOP) for removing pollutants from wastewater, and• OH has been considered the dominant …
Universal scaling relations for the rational design of molecular water oxidation catalysts with near-zero overpotential
A major roadblock in realizing large-scale production of hydrogen via electrochemical water
splitting is the cost and inefficiency of current catalysts for the oxygen evolution reaction …
splitting is the cost and inefficiency of current catalysts for the oxygen evolution reaction …
New strategies for direct methane-to-methanol conversion from active learning exploration of 16 million catalysts
Despite decades of effort, no earth-abundant homogeneous catalysts have been discovered
that can selectively oxidize methane to methanol. We exploit active learning to …
that can selectively oxidize methane to methanol. We exploit active learning to …
Dichotomous hydrogen atom transfer vs proton-coupled electron transfer during activation of X–H bonds (X= C, N, O) by nonheme iron–oxo complexes of variable …
We describe herein the hydrogen-atom transfer (HAT)/proton-coupled electron-transfer
(PCET) reactivity for FeIV–oxo and FeIII–oxo complexes (1–4) that activate C–H, N–H, and O …
(PCET) reactivity for FeIV–oxo and FeIII–oxo complexes (1–4) that activate C–H, N–H, and O …
Using Computational Chemistry to Reveal Nature's Blueprints for Single-Site Catalysis of C–H Activation
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 …
what can be accomplished by natural enzymes and translates these advantageous features …
Metal–oxyl species and their possible roles in chemical oxidations
Y Shimoyama, T Kojima - Inorganic Chemistry, 2019 - ACS Publications
Metal–oxyl (M n+-O•) complexes having an oxyl radical ligand, which are electronically
equivalent to well-known metal–oxo (M (n+ 1)+═ O) complexes, are surveyed as a new …
equivalent to well-known metal–oxo (M (n+ 1)+═ O) complexes, are surveyed as a new …
X-ray Spectroscopic Study of the Electronic Structure of a Trigonal High-Spin Fe (IV)═ O Complex Modeling Non-Heme Enzyme Intermediates and Their Reactivity
Fe K-edge X-ray absorption spectroscopy (XAS) has long been used for the study of high-
valent iron intermediates in biological and artificial catalysts. 4p-mixing into the 3d orbitals …
valent iron intermediates in biological and artificial catalysts. 4p-mixing into the 3d orbitals …
Machine learning accelerates the discovery of design rules and exceptions in stable metal–oxo intermediate formation
Metal–oxo moieties are important catalytic intermediates in the selective partial oxidation of
hydrocarbons and in water splitting. Stable metal–oxo species have reactive properties that …
hydrocarbons and in water splitting. Stable metal–oxo species have reactive properties that …