proton-coupled electron transfer

Correlation between electronic descriptor and proton-coupled electron transfer thermodynamics in doped graphite-conjugated catalysts

339. P. Hutchison, R. E. Warburton, Y. Surendranath, and S. Hammes-Schiffer, “Correlation between electronic descriptor and proton-coupled electron transfer thermodynamics in doped graphite-conjugated catalysts,” J. Phys. Chem. Lett. 13, 11216-11222 (2022). DOI: 10.1021/acs.jpclett.2c03278

Reorganization energies for interfacial proton-coupled electron transfer to a water oxidation catalyst

338. M. Kessinger, A. V. Soudackov, J. Schneider, R. E. Bangle, S. Hammes-Schiffer, and G. J. Meyer, “Reorganization energies for interfacial proton-coupled electron transfer to a water oxidation catalyst,” J. Am. Chem. Soc. 144, 20514-20524 (2022). DOI: 10.1021/jacs.2c09672

Managing the redox potential of PCET in Grotthuss-type proton wires

334. E. Odella, M. Secor, E. A. R. Cruz, W. D. Guerra, M. N. Urrutia, P. A. Liddell, T. A. Moore, G. F. Moore, S. Hammes-Schiffer, and A. L. Moore, “Managing the redox potential of PCET in Grotthuss-type proton wires,” J. Am. Chem. Soc. 144, 16524-16534 (2022). DOI: 10.1021/jacs.2c05820

Multilevel computational studies reveal importance of axial ligand for oxygen reduction reaction on Fe-N-C materials

333. P. Hutchison, P. S. Rice, R. E. Warburton, S. Raugei, and S. Hammes-Schiffer, “Multilevel computational studies reveal importance of axial ligand for oxygen reduction reaction on Fe-N-C materials,” J. Am. Chem. Soc. 144, 16524-16534 (2022). DOI: 10.1021/jacs.2c05779

Kinetic model for reversible radical transfer in ribonucleotide reductase

330. C. R. Reinhardt, D. Konstantinovsky, A. V. Soudackov, and S. Hammes-Schiffer, “Kinetic model for reversible radical transfer in ribonucleotide reductase,” Proc. Nat. Acad. Sci. USA 119, e2202022119 (2022). DOI: 10.1073/pnas.2202022119

 

Kinetic model for reversible radical transfer in ribonucleotide reductase

328. R. Reinhardt, D. Konstantinovsky, A. V. Soudackov, and S. Hammes-Schiffer, “Kinetic model for reversible radical transfer in ribonucleotide reductase,” Proc. Nat. Acad. Sci. USA (in press).

Structural and thermodynamic effects on the kinetics of C–H oxidation by multisite proton-coupled electron transfer in fluorenyl benzoates

318. B. Koronkiewicz, E. R. Sayfutyarova, S. C. Coste, B. Q. Mercado, S. Hammes-Schiffer, and J. M. Mayer, “Structural and thermodynamic effects on the kinetics of C–H oxidation by multisite proton-coupled electron transfer in fluorenyl benzoates,” J. Org. Chem. 87, 2997-3006 (2022). DOI: 10.1021/acs.joc.1c02834

Multi PCET in symmetrically substituted benzimidazoles

312. E. Odella, M. Secor, M. Elliot, T. L. Groy, T. A. Moore, S. Hammes-Schiffer, and A. L. Moore, “Multi PCET in symmetrically substituted benzimidazoles,” Chem. Sci. 12, 12667-12675 (2021). DOI: 10.1039/D1SC03782J

Multicapacitor approach to interfacial proton-coupled electron transfer thermodynamics at constant potential

311. P. Hutchison, R. E. Warburton, A. V. Soudackov, and S. Hammes-Schiffer, “Multicapacitor approach to interfacial proton-coupled electron transfer thermodynamics at constant potential,” J. Phys. Chem. C 125, 21891-21901 (2021). DOI: 10.1021/acs.jpcc.1c04464