The DOI matches its Crossref record; 89 of the 89 references it cites were found in a registry or an index.
Proton-Coupled Electron Transfer: Moving Together and Charging Forward
Open accessAbstract
Proton-coupled electron transfer (PCET) is ubiquitous throughout chemistry and biology. This Perspective discusses recent advances and current challenges in the field of PCET, with an emphasis on the role of theory and computation. The fundamental theoretical concepts are summarized, and expressions for rate constants and kinetic isotope effects are provided. Computational methods for calculating reduction potentials and pKa's for molecular electrocatalysts, as well as insights into linear correlations and non-innocent ligands, are also described. In addition, computational methods for simulating the nonadiabatic dynamics of photoexcited PCET are discussed. Representative applications to PCET in solution, proteins, electrochemistry, and photoinduced processes are presented, highlighting the interplay between theoretical and experimental studies. The current challenges and suggested future directions are outlined for each type of application, concluding with an overall view to the future.
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Citations
Cites
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Proton-Coupled Electron Transfer
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Self-citationHydrogen Evolution Catalyzed by Cobaloximes
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From Hydrogenases to Noble Metal–Free Catalytic Nanomaterials for H 2 Production and Uptake
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PROTON-COUPLED ELECTRON TRANSFER
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Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics
Crespo-Otero, R., & Barbatti, M. (2018) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00577 · Cited by 733
Proton-Coupled Electron Transfer Guidelines, Fair and Square
Tyburski, R., Liu, T., Glover, S. D., & Hammarström, L. (2021) · Journal of the American Chemical Society · doi:10.1021/jacs.0c09106 · Cited by 710
Pulsed Laser in Liquids Made Nanomaterials for Catalysis
Forsythe, R. C., Cox, C. P., Wilsey, M. K., & Müller, A. M. (2021) · Chemical Reviews · doi:10.1021/acs.chemrev.0c01069 · Cited by 259
Dereka, B., & Vauthey, E. (2017) · Chemical Science · doi:10.1039/c7sc00437k · Cited by 82
Metadata
- Authors
- Hammes-Schiffer, S.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2015-07-07
- Volume
- 137
- Issue
- 28
- Pages
- 8860-8871
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W788427216
- Cited by
- 468
- References
- 89
- FWCI
- 30.38
- Type
- journal article
- Language
- en
- Open access
- hybrid
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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