Proton-coupled electron transfer
Carboxamidate Ligand Noninnocence in Proton Coupled Electron Transfer
... and electron paramagnetic resonance spectroscopies and electrospray ionization mass ...concerted proton coupled electron transfer (PCET) ...
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Water dynamics and hydrogen tunnelling in proton-coupled electron transfer reaction
... the proton-coupled electron transfer (PCET) reaction of ascorbate monoanion with hexacyanoferrate(III) ion in water has been ...dynamics coupled with reaction coordinate of the PCET ...
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Barrierless Heptazine-Driven Excited State Proton-Coupled Electron Transfer:
... SV: Electron Transfer with 1,4-dimethoxybenzene As the oxidation potential of the phenols decreases, the fluorescence quenching could be the results of electron transfer (ET) instead of ...
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A Dynamic View of Proton-Coupled Electron Transfer in Photocatalytic Water Splitting
... the proton-coupled electron transfer step, it is essential to treat the water molecules at the same DFT quantum-mechanical level of the ...solute. Proton diffusion in liquid water is a ...
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Proton coupled electron transfer enhances the electrocatalytic reduction of nitrite to NO in a bioinspired copper complex
... of proton-coupled electron transfer during nitrite reduction when such synthetic complexes are ...of proton-relaying units in the secondary coordination sphere of the metal can be ...
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Long-range proton-coupled electron transfer in phenol-[Ru(2,2'-bipyrazine)3]3+ dyads
... of proton–electron separation across natural or artificial ...be coupled to acid/base chemistry in order to proceed ...understanding proton-coupled electron transfer ...
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Tuning the Proton-Coupled Electron Transfer Rate by Ligand Modification in Catalyst-Dye Supramolecular Complexes for Photocatalytic Water Splitting
... Supporting information for this article is given via a link at the end of the document. Abstract: In view of the considerably high activation energy barrier of the O−O bond formation photocatalytic step in water ...
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Using Hyperfine Electron Paramagnetic Resonance Spectroscopy to Define the Proton-Coupled Electron Transfer Reaction at Fe-S Cluster N2 in Respiratory Complex I.
... resonance transfer (SMART) HYSCORE, to detect two weakly coupled exchangeable protons near ...exchangeable proton of a conserved histidine and conclude that the histidine is hydrogen-bonded to N2, ...
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Ultrafast Interfacial Proton-Coupled Electron Transfer
... wet electron dynamics. The free energy surfaces for the proton and electron transfer are plotted in ...the electron and proton displacements ...the proton or solvent ...
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Interplay of Proton Transfer, Electron Transfer and Proton Coupled Electron Transfer in Transition Metal Mediated Nitrogen Fixation
... 4.3. Conclusion Herein we report the first pK a studies on a synthetic nitrogenase and find a strong correlation between pK a and N 2 RR efficiency. Chemical studies revealed that, on their own, the anilinium triflate ...
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Proton-Coupled Electron Transfer with Photoexcited Metal Complexes
... secondary electron acceptors in bacterial photosynthesis there has been much work on artificial porphyrin-quinone dyads, 26,64 but the aspect of hydrogen-bonding or proton-coupling has received surprisingly ...
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Fundamental electron-transfer and proton-coupled electron-transfer properties of Ru(iv)-oxo complexes
... hydrogen-atom transfer reactions by M n+ (O) could be estimated on the basis of the Marcus cross ...the proton acceptability of the basic ligand that is the oxo ligand for M n+ (O) and the ...
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Direct Simulation of Proton-Coupled Electron Transfer Reaction Dynamics and Mechanisms
... this electron- proton-environment dynamics and to efficiently and robustly simulate long trajectories that bridge the multiple timescales of these ...describe coupled electronic and nuclear dynamics ...
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Reaction Enthalpy and Volume Profiles for Excited State Reactions Involving Electron Transfer and Proton-Coupled Electron Transfer
... Summary Electron transfer between the anionic free-base porphyrin uroporphyrin and cytochrome c was probed by steady-state and time-resolved fluorescence as well as time- resolved photoacoustic calorimetry ...
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swing cycle for CO2 capture electrochemically driven through proton-coupled electron transfer
... an ideal cycle, work input is the thermodynamic minimum given by the exit/inlet pressure ratio, 690. reported in italics[r] ...
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Proton-Coupled Electron Transfer Reactions at a Heme-Propionate in an Iron-Protoporphyrin-IX Model Compound
... nelectron transfer (CPET), and this is the first demonstration of such reactivity involving a ...in proton-coupled redox processes and that this possibility should be considered in enzymatic ...
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Supporting Information of. 1D Radical Motion in Protein Pocket: Proton Coupled Electron Transfer in Human Serum Albumin
... initial electron spin polarization by triplet mechanism (TM) and radical pair mechanism (PRM) created through the photoinduced charge–separation between 3 AQDS 2- * and W214 in the protein ...
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Coupled electron proton transfer reactions in biological redox active substrates
... an electron is believed to accompany proton transfer to an available proton acceptor ...a proton coupled electron transfer mechanism with transfer of a ...
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Coupled electron and proton transfer reactions during the O→E transition in bovine cytochrome c oxidase
... of proton and electron transfer reac- tions in cytochrome c oxidase (CcO) and its proton pumping ...chemical proton to the internal electron transfer within the binuclear ...
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Proton Transfer Mechanisms in Bimetallic Hydrogenases
... Conspectus Hydrogenases are iron-sulfur enzymes that catalyze proton reduction and H 2 oxidation with outstanding efficiency. They are considered blueprints for the design of transition metal complexes, e.g. as ...
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