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Rishi G. Agarwal, Scott C. Coste, Benjamin D. Groff, Abigail M. Heuer, Hyunho Noh, Giovanny A. Parada, Catherine F. Wise, Eva Megan Nichols, Jeffrey J. Warren, James M. Mayer
We present an update and revision to our 2010 review on the topic of proton-coupled electron transfer (PCET) reagent thermochemistry. Over the past decade, the data and thermochemical formalisms presented in that review have been of value to multiple fields. Concurrently, there have been advances in the thermochemical cycles and experimental methods used to measure these values. This Review (i) summarizes those advancements, (ii) corrects systematic errors in our prior review that shifted many of the absolute values in the tabulated data, (iii) provides updated tables of thermochemical values, and (iv) discusses new conclusions and opportunities from the assembled data and associated techniques. We advocate for updated thermochemical cycles that provide greater clarity and reduce experimental barriers to the calculation and measurement of Gibbs free energies for the conversion of X to XH n in PCET reactions. In particular, we demonstrate the utility and generality of reporting potentials of hydrogenation, E °(V vs H 2 ), in almost any solvent and how these values are connected to more widely reported bond dissociation free energies (BDFEs). The tabulated data demonstrate that E °(V vs H 2 ) and BDFEs are generally insensitive to the nature of the solvent and, in some cases, even to the phase (gas versus solution). This Review also presents introductions to several emerging fields in PCET thermochemistry to give readers windows into the diversity of research being performed. Some of the next frontiers in this rapidly growing field are coordination-induced bond weakening, PCET in novel solvent environments, and reactions at material interfaces.
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Agarwal, R. G., Coste, S. C., Groff, B. D., Heuer, A. M., Noh, H., Parada, G. A., Wise, C. F., Nichols, E. M., Warren, J. J., & Mayer, J. M. (2021). Free Energies of Proton-Coupled Electron Transfer Reagents and Their Applications. Chemical Reviews, 122(1), 1–49. https://doi.org/10.1021/acs.chemrev.1c00521
Agarwal, Rishi G., et al. "Free Energies of Proton-Coupled Electron Transfer Reagents and Their Applications." Chemical Reviews, vol. 122, no. 1, 2021, pp. 1–49, https://doi.org/10.1021/acs.chemrev.1c00521.
Agarwal, Rishi G., Scott C. Coste, Benjamin D. Groff, Abigail M. Heuer, Hyunho Noh, Giovanny A. Parada, Catherine F. Wise, Eva Megan Nichols, Jeffrey J. Warren, and James M. Mayer. "Free Energies of Proton-Coupled Electron Transfer Reagents and Their Applications." Chemical Reviews 122, no. 1 (2021): 1–49. https://doi.org/10.1021/acs.chemrev.1c00521.
Agarwal R. G., Coste S. C., Groff B. D. [и др.] Free Energies of Proton-Coupled Electron Transfer Reagents and Their Applications // Chemical Reviews. — 2021. — Vol. 122, № 1. — P. 1–49. — URL: https://doi.org/10.1021/acs.chemrev.1c00521
@article{agarwal2021free,
title = {{Free Energies of Proton-Coupled Electron Transfer Reagents and Their Applications}},
author = {Rishi G. Agarwal and Scott C. Coste and Benjamin D. Groff and Abigail M. Heuer and Hyunho Noh and Giovanny A. Parada and Catherine F. Wise and Eva Megan Nichols and Jeffrey J. Warren and James M. Mayer},
journal = {Chemical Reviews},
year = {2021},
volume = {122},
number = {1},
pages = {1--49},
doi = {10.1021/acs.chemrev.1c00521},
url = {https://doi.org/10.1021/acs.chemrev.1c00521}
}TY - JOUR AU - Agarwal, Rishi G. AU - Coste, Scott C. AU - Groff, Benjamin D. AU - Heuer, Abigail M. AU - Noh, Hyunho AU - Parada, Giovanny A. AU - Wise, Catherine F. AU - Nichols, Eva Megan AU - Warren, Jeffrey J. AU - Mayer, James M. TI - Free Energies of Proton-Coupled Electron Transfer Reagents and Their Applications JO - Chemical Reviews VL - 122 IS - 1 SP - 1 EP - 49 PY - 2021 DA - 2021/12/20 DO - 10.1021/acs.chemrev.1c00521 UR - https://doi.org/10.1021/acs.chemrev.1c00521 ER -
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