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Kinetics of Hydride Transfer from Catalytic Metal-Free Hydride Donors to CO2
Selective reduction of CO2 to formate represents an ongoing challenge in photoelectrocatalysis. To provide mechanistic insights, we investigate the kinetics of hydride transfer (HT) from a series of metal-free hydride donors to CO2. The observed dependence of experimental and calculated HT barriers...
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Published in: | The journal of physical chemistry letters 2021-03, Vol.12 (9), p.2306-2311 |
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Main Authors: | , , , , , , |
Format: | Article |
Language: | English |
Subjects: | |
Online Access: | Get full text |
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Summary: | Selective reduction of CO2 to formate represents an ongoing challenge in photoelectrocatalysis. To provide mechanistic insights, we investigate the kinetics of hydride transfer (HT) from a series of metal-free hydride donors to CO2. The observed dependence of experimental and calculated HT barriers on the thermodynamic driving force was modeled by using the Marcus hydride transfer formalism to obtain the insights into the effect of reorganization energies on the reaction kinetics. Our results indicate that even if the most ideal hydride donor were discovered, the HT to CO2 would exhibit sluggish kinetics ( |
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ISSN: | 1948-7185 1948-7185 |
DOI: | 10.1021/acs.jpclett.0c03662 |