Free energies of proton-coupled electron transfer reagents and their applications
RG Agarwal, SC Coste, BD Groff, AM Heuer… - Chemical …, 2021 - ACS Publications
We present an update and revision to our 2010 review on the topic of proton-coupled
electron transfer (PCET) reagent thermochemistry. Over the past decade, the data and …
electron transfer (PCET) reagent thermochemistry. Over the past decade, the data and …
Proton-coupled electron transfer guidelines, fair and square
Proton-coupled electron transfer (PCET) reactions are fundamental to energy transformation
reactions in natural and artificial systems and are increasingly recognized in areas such as …
reactions in natural and artificial systems and are increasingly recognized in areas such as …
Negative catalysis/non-Bell-Evans-Polanyi reactivity by metalloenzymes: Examples from mononuclear heme and non-heme iron oxygenases
There are many examples in bioinorganic chemistry, where metalloenzymes produce
different reaction products than analogous biomimetic model complexes despite them …
different reaction products than analogous biomimetic model complexes despite them …
A molecular mediator for reductive concerted proton-electron transfers via electrocatalysis
Electrocatalytic approaches to the activation of unsaturated substrates via reductive
concerted proton-electron transfer (CPET) must overcome competing, often kinetically …
concerted proton-electron transfer (CPET) must overcome competing, often kinetically …
Bimodal Evans–Polanyi Relationships in Hydrogen Atom Transfer from C(sp3)–H Bonds to the Cumyloxyl Radical. A Combined Time-Resolved Kinetic and …
M Salamone, M Galeotti… - Journal of the …, 2021 - ACS Publications
The applicability of the Evans–Polanyi (EP) relationship to HAT reactions from C (sp3)–H
bonds to the cumyloxyl radical (CumO•) has been investigated. A consistent set of rate …
bonds to the cumyloxyl radical (CumO•) has been investigated. A consistent set of rate …
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 …
Experimental Evidence for pKa-Driven Asynchronicity in C–H Activation by a Terminal Co(III)–Oxo Complex
MKK Goetz, JS Anderson - Journal of the American Chemical …, 2019 - ACS Publications
C–H activation by transition metal oxo complexes is a fundamental reaction in oxidative
chemistry carried out by both biological and synthetic systems. This centrality has motivated …
chemistry carried out by both biological and synthetic systems. This centrality has motivated …
Mechanistic Studies on the Bismuth‐Catalyzed Transfer Hydrogenation of Azoarenes
HW Moon, F Wang, K Bhattacharyya… - Angewandte …, 2023 - Wiley Online Library
Organobismuth‐catalyzed transfer hydrogenation has recently been disclosed as an
example of low‐valent Bi redox catalysis. However, its mechanistic details have remained …
example of low‐valent Bi redox catalysis. However, its mechanistic details have remained …
Local electric fields as a natural switch of heme-iron protein reactivity
D Bím, AN Alexandrova - ACS catalysis, 2021 - ACS Publications
Heme-iron oxidoreductases operating through the high-valent FeIVO intermediates perform
crucial and complicated transformations, such as oxidations of unreactive saturated …
crucial and complicated transformations, such as oxidations of unreactive saturated …
Copper-catalyzed electrochemical C–H fluorination
H Hintz, J Bower, J Tang, M LaLama, C Sevov… - Chem catalysis, 2023 - cell.com
We report the systematic development of an electrooxidative methodology that translates
stoichiometric C–H fluorination reactivity of an isolable Cu III fluoride complex into a catalytic …
stoichiometric C–H fluorination reactivity of an isolable Cu III fluoride complex into a catalytic …