Thermodynamics and kinetics of proton-coupled electron transfer: stepwise vs. concerted pathways.

No abstract is available for this paper.

• Publication year

  2004

• Venue

  Biochimica et Biophysica Acta

• Publication date

  2004-04-12

• Fields of study

  Medicine, Chemistry

• Identifiers
  DOI 10.1016/J.BBABIO.2003.07.002PMID 15100016
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Theory of electron transfer reactions: insights and hindsights

  2007cited by this paper
• Proton-Coupled Electron Transfer in Guanine Oxidation: Effects of Isotope, Solvent, and Chemical Modification

  2003cited by this paper
• Bond dissociation energies of organic molecules.

  2003cited by this paper
• Electron and hydrogen-atom self-exchange reactions of iron and cobalt coordination complexes.

  2003cited by this paper
• Slow hydrogen atom self-exchange between Os(IV) anilide and Os(III) aniline complexes: relationships with electron and proton transfer self-exchange.

  2003cited by this paper
• Comparison and contrasts between the active site PKs of Mn-superoxide dismutase and those of Fe-superoxide dismutase.

  2002cited by this paper
• Microsomal P450-catalyzed N-dealkylation of N,N-dialkylanilines: evidence for a C(alpha)-H abstraction mechanism.

  2002cited by this paper
• Proton-coupled electron transfer from phosphorus: a P-H/P-D kinetic isotope effect of 178.

  2002cited by this paper
• Temperature-dependent isotope effects in soybean lipoxygenase-1: correlating hydrogen tunneling with protein dynamics.

  2002cited by this paper
• Nonlinear free energy relations for adiabatic proton transfer reactions in a polar environment. II. Inclusion of the hydrogen bond vibration

  2002cited by this paper
• Nonlinear Free Energy Relations for Adiabatic Proton Transfer Reactions in a Polar Environment. I. Fixed Proton Donor−Acceptor Separation

  2002cited by this paper
• A Theory that Connects Proton-Coupled Electron-Transfer and Hydrogen-Atom Transfer Reactions†

  2002cited by this paper
• Application of the Marcus Cross Relation to Hydrogen Atom Transfer Reactions

  2001cited by this paper
• Theoretical perspectives on proton-coupled electron transfer reactions.

  2001cited by this paper
• Mechanism of ascorbic acid oxidation by cytochrome b(561).

  2001cited by this paper
• Evidence for an essential histidine residue in the ascorbate-binding site of cytochrome b561.

  2001cited by this paper
• Theoretical study of electron, proton, and proton-coupled electron transfer in iron bi-imidazoline complexes.

  2001cited by this paper
• Indication of a hydrogen-atom abstraction reaction relevant to a mechanistic proposal for the oxygen-evolving complex of photosystem II.

  2001cited by this paper
• Amino acid residues involved in the coordination and assembly of the manganese cluster of photosystem II. Proton-coupled electron transport of the redox-active tyrosines and its relationship to water oxidation.

  2001cited by this paper
• Mechanism of photosynthetic water oxidation: combining biophysical studies of photosystem II with inorganic model chemistry.

  2001cited by this paper
• The role of collective solvent coordinates and nonequilibrium solvation in charge-transfer reactions

  2001cited by this paper
• Intrinsic Barriers for Electron and Hydrogen Atom Transfer Reactions of Biomimetic Iron Complexes

  2000influential reference
• Proton and hydrogen currents in photosynthetic water oxidation.

  2000cited by this paper
• Kinetics and activation thermodynamics of methane monooxygenase compound Q formation and reaction with substrates.

  2000cited by this paper
• Concerted hydrogen-atom abstraction in photosynthetic water oxidation.

  2000cited by this paper
• Concerted electron and proton transfer: Transition from nonadiabatic to adiabatic proton tunneling

  2000cited by this paper
• The mechanism of the proton transfer: an outline.

  2000cited by this paper
• Atomically defined mechanism for proton transfer to a buried redox centre in a protein

  2000cited by this paper
• Proposed Molecular Mechanism for the Action of Molybdenum in Enzymes : Coupled Proton and Electron Transfer ( metalloenzymes / nitrogenase / nitrate reductase / xanthine oxidase / ligand acidity )

  1999cited by this paper
• Large Competitive Kinetic Isotope Effects in Human 15-Lipoxygenase Catalysis Measured by a Novel HPLC Method

  1999cited by this paper
• Hydrogen Transfer Reactivity of a Ferric Bi-imidazoline Complex That Models the Activity of Lipoxygenase Enzymes.

  1999cited by this paper
• Proton and hydrogen atom tunnelling in hydrolytic and redox enzyme catalysis

  1999cited by this paper
• Driving Force and Isotope Dependence of the Kinetics of Proton-Coupled Electron Transfer in Oxoruthenium(IV) Polypyridyl Complexes

  1999cited by this paper
• Proton-coupled electron transfer.

  1998cited by this paper
• Enzyme Catalysis: Beyond Classical Paradigms†

  1998cited by this paper
• Enzyme Catalysis: Beyond Classical Paradigms

  1998cited by this paper
• Oxygen Production in Nature: A Light-Driven Metalloradical Enzyme Process

  1998influential reference
• Thermodynamic Viability of Hydrogen Atom Transfer from Water Coordinated to the Oxygen-Evolving Complex of Photosystem II

  1997cited by this paper
• Toward the Rational Design of Superoxide Dismutase Mimics: Mechanistic Studies for the Elucidation of Substituent Effects on the Catalytic Activity of Macrocyclic Manganese(II) Complexes

  1997cited by this paper
• Oxidation of Hydrocarbons by [(phen)2Mn(μ-O)2Mn(phen)2]3+ via Hydrogen Atom Abstraction

  1997cited by this paper
• Significant Effect of Salt Bridges on Electron Transfer

  1997cited by this paper
• Chemical complementation identifies a proton acceptor for redox-active tyrosine D in photosystem II.

  1997cited by this paper
• Heats of Formation of Organic Free Radicals by Kinetic Methods

  1996cited by this paper
• Energetics of proton-coupled electron transfer in high-valent Mn2(μ-O)2 systems: Models for water oxidation by the oxygen-evolving complex of photosystem II

  1996cited by this paper
• Energetics of organic free radicals

  1996cited by this paper
• Contemporary Issues in Electron Transfer Research

  1996cited by this paper
• Mechanistic Study of the Oxidative N-Dealkylation Reactions of Bis(μ-oxo)dicopper Complexes

  1996cited by this paper
• Bond Dissociation Energies of O−H Bonds in Substituted Phenols from Equilibration Studies

  1996cited by this paper
• Mechanism of Proton-Coupled Electron Transfer for Quinone (QB) Reduction in Reaction Centers of Rb. Sphaeroides

  1996cited by this paper
• Active oxygen in chemistry

  1996cited by this paper
• Understanding C-H bond oxidations: H. and H- transfer in the oxidation of toluene by permanganate.

  1995cited by this paper
• Three methods to measure RH bond energies

  1994cited by this paper
• HYDROGEN TUNNELING IN THE ACTIVATION OF DIOXYGEN BY A TRIS(PYRAZOLYL)BORATE COBALT COMPLEX

  1994cited by this paper
• A direct comparison of the rates of degenerate transfer of electrons, protons, and hydrogen atoms between metal complexes

  1993cited by this paper
• BOND ENERGIES IN SOLUTION FROM ELECTRODE POTENTIALS AND THERMOCHEMICAL CYCLES. A SIMPLIFIED AND GENERAL APPROACH

  1993cited by this paper
• The secretory-vesicle ascorbate-regenerating system: a chain of concerted H+/e(-)-transfer reactions.

  1993cited by this paper
• Acidities and homolytic bond dissociation energies of the acidic carbon-hydrogen bonds in radical cations

  1992cited by this paper
• Mechanism of antioxidant reaction of vitamin E. Charge transfer and tunneling effect in proton-transfer reaction

  1992cited by this paper
• Mechanism of Antioxidant Reaction of Vitamin E. Charge Transfer and Tunneling Effect in Proton‐Transfer Reaction

  1992cited by this paper
• Concerted proton-electron transfer between ascorbic acid and cytochrome b561.

  1991cited by this paper
• Agreement of proton transfer cross reaction rates between transition metals with those predicted by Marcus theory

  1991cited by this paper
• Bond dissociation energies in DMSO related to the gas phase values

  1991cited by this paper
• Substituent effects on the stabilities of phenoxyl radicals and the acidities of phenoxyl radical cations

  1991cited by this paper
• Intrinsic barriers to atom transfer (abstraction) processes; self-exchange rates for Cp(CO)3M.bul. radical/Cp(CO)3M-X halogen couples

  1991cited by this paper
• Vitamins C and E donate single hydrogen atoms in vivo

  1991cited by this paper
• Metals and ligand reactivity

  1990cited by this paper
• CODATA key values for thermodynamics

  1989cited by this paper
• Oxidation potentials of carbanions and homolytic bond dissociation energies of their conjugate acids

  1989cited by this paper
• Unifying the solution thermochemistry of molecules, radicals, and ions

  1989cited by this paper
• Vitamin E: application of the principles of physical organic chemistry to the exploration of its structure and function

  1986cited by this paper
• Electron transfers in chemistry and biology

  1985cited by this paper
• The Application of the Marcus Relation to Reactions in Solution

  1980cited by this paper
• Pulse radiolysis of 4-tert-butyl-1,2-dihydroxybenzene and 4-tert-butyl-1,2-quinone

  1979cited by this paper
• What makes proton transfer fast

  1975influential reference
• Atlas of Electrochemical Equilibria in Aqueous Solutions

  1974cited by this paper
• Landolt-bornstein, new series

  1974cited by this paper
• The Brønsted relation – recent developments

  1973cited by this paper
• The proton in chemistry

  1973cited by this paper
• Proposed molecular mechanism for the action of molybedenum in enzymes: coupled proton and electron transfer.

  1973cited by this paper
• The reaction of benzyl radicals with m-deuteriotoluene

  1969cited by this paper
• Direct measurement of the rate of hydrogen-atom exchange between a phenol and its phenoxy radical

  1968cited by this paper
• Pulse radiolysis of benzoquinone and hydroquinone. Semiquinone formation by water elimination from trihydroxy-cyclohexadienyl radicals

  1967cited by this paper
• The heats of combustion of phenol and the three cresols

  1961cited by this paper
• 1009. Thermodynamic properties of organic oxygen compounds. Part I. Preparation and physical properties of pure phenol, cresols, and xylenols

  1960cited by this paper

• Two-Step Electrochemical Oxidation of 5-Hydroxytryptophan in Acidic Media: End-On Adsorption, pH/Temperature-Dependent Mechanism, and Thermodynamic Control

  2026cites this paper
• Unraveling the role of solvent polarity in modulating phenolic compounds in olive oil antioxidant activity via DFT analysis

  2025cites this paper
• The Influence of FDI on Economic Growth Under the Endogenous Growth Model

  2025cites this paper
• High-pressure pump–probe experiments reveal the mechanism of excited-state proton-coupled electron transfer and a shift from stepwise to concerted pathways

  2025cites this paper
• Organic photoredox-catalyzed unimolecular PCET of benzylic alcohols

  2025cites this paper
• Concerted proton transfer in homogeneous and heterogeneous cyclic hydrogen-bonded clusters of H2O, HF, and HCl.

  2025cites this paper
• Proton transfer during reduction of the catalytic metallo-cofactors of the three nitrogenase isozymes

  2025cites this paper
• Engineering mechanisms of proton-coupled electron transfer to a titanium-substituted polyoxovanadate–alkoxide

  2025cites this paper
• Tracking Electron, Proton, and Solvent Motion in Proton-Coupled Electron Transfer with Ultrafast X-rays

  2025cites this paper
• Wavelength-Resolving Catalytic Turnover Frequencies and Identifying Alternate Proton Donors in Solar-Fuel-Forming Reactions

  2025cites this paper
• Systematic analysis of electronic barrier heights and widths for concerted proton transfer in cyclic hydrogen bonded clusters: (HF)n, (HCl)n and (H2O)n where n = 3, 4, 5.

  2024cites this paper
• Reinvestigation of the mechanism of the enamine-mediated dioxygen activation

  2024cites this paper
• Theoretical Exploration of Enhanced Antioxidant Activity in Copper Complexes of Tetrahydroxystilbenes: Insights into Mechanisms and Molecular Interactions

  2024cites this paper
• Dual Channel H2O2 Photosynthesis in Pure Water over S-Scheme Heterojunction Cs3PMo12/CC Boosted by Proton and Electron Reservoirs.

  2024cites this paper
• Unraveling redox pathways of the disulfide bond in dimethyl disulfide: Ab initio modeling

  2024cites this paper
• DFT-based computational analysis of 2,4-dimethyl-6-tert-butylphenol (DTBP) as an antioxidant in aviation fuels

  2024cites this paper
• Replacing a Cysteine Ligand by Selenocysteine in a [NiFe]-Hydrogenase Unlocks Hydrogen Production Activity and Addresses the Role of Concerted Proton-Coupled Electron Transfer in Electrocatalytic Reversibility

  2024cites this paper
• A Comprehensive Review on Pharmacological Activities of Pachypodol: A Bioactive Compound of an Aromatic Medicinal Plant Pogostemon Cablin Benth

  2023cites this paper
• Investigation by ESR Spectroscopy of Biology Active Electron-Rich 1,10-Phenanthrocyanines of d-Elements (Soft Colloidal Glasses)

  2023cites this paper
• Radical Chemistry: A Brief History and Overview

  2023cites this paper
• The cytochrome b_6f complex: plastoquinol oxidation and regulation of electron transport in chloroplasts

  2023cites this paper
• Voltammetric kinetic discrimination of two sequential proton-coupled electron transfers in serotonin oxidation: Electrochemical interrogation of a serotonin intermediate

  2022cites this paper
• Using Computational Chemistry To Reveal Nature’s Blueprints for Single-Site Catalysis of C–H Activation

  2022cites this paper
• Direct Benzene Hydroxylation with Dioxygen Induced by Copper Complexes: Uncovering the Active Species by DFT Calculations

  2022cites this paper
• Enantioselective Addition of Remote Alkyl Radicals to Double Bonds by Photocatalytic Proton-Coupled Electron Transfer (PCET) Deconstruction of Unstrained Cycloalkanols

  2022cites this paper
• Investigations into mechanism and origin of regioselectivity in the metallaphotoredox-catalyzed α-arylation of N-alkylbenzamides

  2022cites this paper
• Proton-controlled Action of an Imidazole as Electron Relay in a Photoredox Triad

  2022cites this paper
• Chalcogen Atoms as Electron Donors in Proton-Coupled Electron Transfer Reactions.

  2022cites this paper
• Proton Removal Kinetics That Govern the Hydrogen Peroxide Oxidation Activity of Heterogeneous Bioinorganic Platforms.

  2021cites this paper
• Unveiling the effect of the crystalline phases of iron oxyhydroxide for highly sensitive and selective detection of dopamine.

  2021cites this paper
• Extended Hydrogen Bond Networks for Effective Proton-Coupled Electron Transfer (PCET) Reactions: The Unexpected Role of Thiophenol and Its Acidic Channel in Photocatalytic Hydroamidations.

  2021cites this paper
• Photochemical and Electrochemical Applications of Proton-Coupled Electron Transfer in Organic Synthesis

  2021cites this paper
• Nitrile-Facilitated Proton Transfer for Enhanced Oxygen Reduction by Hybrid Electrocatalysts

  2020cites this paper
• Thermochemical unification of molecular descriptors to predict radical hydrogen abstraction with low computational cost.

  2020cites this paper
• Mapping and Exploiting the Promiscuity of OxyB toward the Biocatalytic Production of Vancomycin Aglycone Variants.

  2020cites this paper
• Mechanism and Dynamics of Formation of Bisoxo Intermediates and O-O Bond in the Catalytic Water Oxidation Process.

  2020cites this paper
• An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactions

  2020cites this paper
• Assessment of chemical composition and antioxidant properties of defatted flours obtained from several edible insects

  2020cites this paper
• Increased CODH activity in a bioelectrochemical system improves microbial electrosynthesis with CO

  2020cites this paper
• Computational mechanistic study on molecular catalysis of water oxidation by cyclam ligand-based iron complex

  2020influential citation
• Determination of Tryptophan at Carbon Nanomaterials Modified Glassy Carbon Sensors: A Comparison

  2020cites this paper
• Theoretical evaluation of the antioxidant activity of some stilbenes using the Density Functional Theory

  2020cites this paper
• Phenol-acclimated activated sludge and Ralstonia eutropha in a microbial fuel Cell for removal of olive oil from mill wastewater

  2020cites this paper
• Investigating the Effects of Primary Amine Linkers with Different Carbon Chain Lengths on the Acid Dissociation Constant (pKa) for Covalently Immobilized Anthraquinone at the Electrode Surface Using Linear and Non-Linear Fittings

  2019cites this paper
• Activation of C-H, N-H, and O-H Bonds via Proton-Coupled Electron Transfer to a Mn(III) Complex of Redox-Noninnocent Octaazacyclotetradecadiene, a Catenated-Nitrogen Macrocyclic Ligand.

  2019cites this paper
• Promoting proton coupled electron transfer in redox catalysts through molecular design.

  2019cites this paper
• Induction of Enzyme-like Peroxidase Activity in an Iron Porphyrin Complex Using Second Sphere Interactions.

  2019cites this paper
• Activating a Peroxo Ligand for C-O Bond Formation.

  2019cites this paper
• Synthesis of Benzylic Alcohols by C–H Oxidation

  2019cites this paper
• Donor-Dependent Promotion of Interfacial Proton-Coupled Electron Transfer in Aqueous Electrocatalysis

  2019cites this paper
• Kinetic modeling of electrocatalytic oxygen reduction products from lipid-modified electrodes

  2019cites this paper
• Induction of Concerted Proton-Coupled Electron Transfer during Oxygen Evolution on Hematite Using Lanthanum Oxide as a Solid Proton Acceptor

  2019cites this paper
• Physical and electrochemical characterization of a Cu-based oxygen reduction electrocatalyst inside and outside a lipid membrane with controlled proton transfer kinetics

  2019cites this paper
• What drives the H-abstraction reaction in bio-mimetic oxoiron-bTAML complexes? A computational investigation.

  2018cites this paper
• Natural flavans and flavanones with antioxidant activities: An overview

  2018influential citation
• Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a "Bulky Hydrogen Atom" Surrogate: Analogies to PCET.

  2018cites this paper
• Controlling Proton and Electron Transfer Rates to Enhance the Activity of an Oxygen Reduction Electrocatalyst.

  2018cites this paper
• Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity

  2018cites this paper
• A new era for electron bifurcation.

  2018cites this paper
• Interplay of proton and electron transfer to determine concerted behavior in the proton-coupled electron transfer of glutathione oxidation.

  2018cites this paper
• A Continuum of Proton-Coupled Electron Transfer Reactivity.

  2018cites this paper
• Environmental Stimuli‐Irresponsive Long‐Term Radical Scavenging of 2D Transition Metal Dichalcogenides through Defect‐Mediated Hydrogen Atom Transfer in Aqueous Media

  2018cites this paper
• Importance of the Reactant-State Potentials of Chromium(V)-Oxo Complexes to Determine the Reactivity in Hydrogen-Atom Transfer Reactions.

  2018cites this paper
• Study of proton-coupled electron transfer (PCET) with four explicit diabatic states at the ab initio level

  2017cites this paper
• Nucleotide radicals in DNA/RNA synthesis. Computational approach

  2017cites this paper
• Protonation equilibria of transition metal complexes: From model systems toward the Mn-complex in photosystem II

  2017cites this paper
• Comportamiento electroquímico de colorantes antraquinónicos, azul de metileno, y compuestos afines en solución de solventes no-acuosos

  2017cites this paper
• Hydrogen Atom Abstraction Thermodynamics of a μ-1,2-Superoxo Dicopper(II) Complex.

  2017cites this paper
• Maturational effects on phenolic constituents, antioxidant activities and LC-MS / MS profiles of lemon ( Citrus limon ) peels

  2017cites this paper
• Catalytic N2-to-NH3 Conversion by Fe at Lower Driving Force: A Proposed Role for Metallocene-Mediated PCET

  2017cites this paper
• Deciphering the incognito role of water in a light driven proton coupled electron transfer process

  2017cites this paper
• Proton transfer dynamics dictate quinone speciation at lipid-modified electrodes.

  2017cites this paper
• Electrochemical behaviour of anthraquinone dyes in non aqueous solvent solution. Part I. Medium effect on the electrochemical behaviour

  2017cites this paper
• Long-range proton-coupled electron transfer in the Escherichia coli class Ia ribonucleotide reductase.

  2017cites this paper
• The Essential Role of Bond Energetics in C-H Activation/Functionalization.

  2017cites this paper
• Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.

  2016cites this paper
• Proton-Coupled Electron Transfer and a Tyrosine-Histidine Pair in a Photosystem II-Inspired β-Hairpin Maquette: Kinetics on the Picosecond Time Scale.

  2016cites this paper
• Elucidating Proton Involvement in the Rate-Determining Step for Pt/Pd-Based and Non-Precious-Metal Oxygen Reduction Reaction Catalysts Using the Kinetic Isotope Effect.

  2016cites this paper
• Observation of an Inverse Kinetic Isotope Effect in Oxygen Evolution Electrochemistry

  2016cites this paper
• Proton-Coupled Electron Transfer in the Reduction of Carbonyls by Samarium Diiodide-Water Complexes.

  2016cites this paper
• Antioxidant Properties of Kynurenines: Density Functional Theory Calculations

  2016cites this paper
• Hydrogen atom transfer reactions of ferrate(VI) with phenols and hydroquinone. Correlation of rate constants with bond strengths and application of the Marcus cross relation.

  2016cites this paper
• Pourbaix diagrams in weakly coupled systems: a case study involving acridinol and phenanthridinol pseudobases

  2016cites this paper
• Tipping the Balance between Concerted versus Sequential Proton-Coupled Electron Transfer.

  2016cites this paper
• High-Affinity Proton Donors Promote Proton-Coupled Electron Transfer by Samarium Diiodide.

  2016cites this paper
• Structural Properties of 4-Substituted Phenols Capable of Proton-Coupled Electron Transfer to Superoxide

  2016cites this paper
• Catalytic C–N Bond-Forming Reactions Enabled by Proton-Coupled Electron Transfer Activation of Amide N–H Bonds

  2016cites this paper
• Concerted two-proton–coupled electron transfer from catechols to superoxide via hydrogen bonds

  2016cites this paper
• Size-selective electrocatalytic activity of (Pt)n/MoS2 for oxygen reduction reaction

  2016cites this paper
• Proton transfer dynamics control the mechanism of O2 reduction by a non-precious metal electrocatalyst.

  2016cites this paper
• Tuning Excited-State Reactivity by Proton-Coupled Electron Transfer.

  2016cites this paper
• Electrochemical detection of Cu2 + using graphene–SnS nanocomposite modified electrode

  2016cites this paper
• Hydrogen Atom Abstraction from Hydrocarbons by a Copper(III)-Hydroxide Complex

  2015cites this paper
• O-H bond oxidation by a monomeric Mn(III)-OMe complex.

  2015cites this paper
• Importance of Proton-Coupled Electron Transfer from Natural Phenolic Compounds in Superoxide Scavenging.

  2015cites this paper
• Path of Electron Transfer on Reaction of Xanthine Oxidase with 6-mercaptopurine and hypoxanthine

  2015cites this paper
• Concerted proton-electron transfer in electrocatalytic O2 reduction by iron porphyrin complexes: axial ligands tuning H/D isotope effect.

  2015cites this paper
• Photoresponsive molecular switch for regulating transmembrane proton-transfer kinetics.

  2015cites this paper
• DFT studies on antioxidant mechanisms, electronic properties, spectroscopic (FT-IR and UV) and NBO analysis of C-glycosyl flavone, an isoorientin

  2015cites this paper
• Proton-coupled electron transfer with photoexcited ruthenium(II), rhenium(I), and iridium(III) complexes

  2015cites this paper