The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
Elucidation of the Selectivity of Proton-Dependent Electrocatalytic CO2 Reduction by fac-Re(bpy)(CO)3Cl
Abstract
A complete mechanism for the proton-dependent electrocatalytic reduction of CO2 to CO by fac-Re(bpy)(CO)3Cl that is consistent with experimental observations has been developed using first principles quantum chemistry. Calculated one-electron reduction potentials, nonaqueous pKa's, reaction free energies, and reaction barrier heights provide deep insight into the complex mechanism for CO2 reduction as well as the origin of selectivity for this catalyst. Protonation and then reduction of a metastable Re-CO2 intermediate anion precedes Brønsted-acid-catalyzed C-O cleavage and then rapid release of CO at negative applied potentials. Conceptually understanding the mechanism of this rapid catalytic process provides a useful blueprint for future work in artificial photosynthesis.
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Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
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Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO 2 Fixation
Appel, A. M., Bercaw, J. E., Bocarsly, A. B., Dobbek, H., DuBois, D. L., Dupuis, M., Ferry, J. G., Fujita, E., Hille, R., Kenis, P. J. A., et al. (2013) · Chemical Reviews · doi:10.1021/cr300463y · Cited by 2,193
Cited by
Molecular artificial photosynthesis
Berardi, S., Drouet, S., Francàs, L., Gimbert-Suriñach, C., Guttentag, M., Richmond, C., Stoll, T., & Llobet, A. (2014) · Chem. Soc. Rev. · doi:10.1039/c3cs60405e · Cited by 929
The role of reticular chemistry in the design of CO2 reduction catalysts
Diercks, C. S., Liu, Y., Cordova, K. E., & Yaghi, O. M. (2018) · Nature Materials · doi:10.1038/s41563-018-0033-5 · Cited by 721
Molecular polypyridine-based metal complexes as catalysts for the reduction of CO2
Elgrishi, N., Chambers, M. B., Wang, X., & Fontecave, M. (2017) · Chemical Society Reviews · doi:10.1039/c5cs00391a · Cited by 555
Semiconductor Quantum Dots: An Emerging Candidate for CO2 Photoreduction
Wu, H., Li, X., Tung, C., & Wu, L. (2019) · Advanced Materials · doi:10.1002/adma.201900709 · Cited by 486
Proton-Coupled Electron Transfer: Moving Together and Charging Forward
Hammes-Schiffer, S. (2015) · Journal of the American Chemical Society · doi:10.1021/jacs.5b04087 · Cited by 468
Metadata
- Authors
- Keith, J. A., Grice, K. A., Kubiak, C. P., & Carter, E. A.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2013-10-09
- Volume
- 135
- Issue
- 42
- Pages
- 15823-15829
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2320077277
- Cited by
- 274
- References
- 4
- FWCI
- 8.90
- Type
- journal article
- Language
- en
- Open access
- closed
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