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The Cost of Quantum Yield

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Download Hi-Res ImageDownload to MS-PowerPointCite This:Org. Process Res. Dev. 2023, 27, 7, 1411-1419
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    The Cost of Quantum Yield
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    Organic Process Research & Development

    Cite this: Org. Process Res. Dev. 2023, 27, 7, 1411–1419
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    https://doi.org/10.1021/acs.oprd.3c00167
    Published July 7, 2023
    Copyright © 2023 American Chemical Society
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    Abstract

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    The quantum yield (QY) of a photocatalytic reaction significantly influences its performance, as reactions with low QYs require more intense light sources and longer illumination times to achieve efficient reaction rates. Unfortunately, the importance of QY is often overlooked in the design of photocatalytic reactions for small-molecule synthesis, leading to potential cost implications and reduced productivity. This study examines various photochemical reactor designs from the literature to estimate photon flux and light generation costs and investigates the impact of QY on both cost and productivity. The findings reveal substantial penalties in cost and productivity when QYs are low. For instance, external QYs below 1% can result in significant light generation costs and maximum productivities of less than 1 mol of product per day. Moreover, the study highlights that high QYs have a larger effect on potential productivity than high product yields. By optimizing for QY instead of product yield, kinetic and revenue modeling for the photoredox-mediated synthesis of ceralasertib demonstrate the potential for generating hundreds of thousands of dollars in additional revenue per day. Overall, this work emphasizes the need for increased consideration of QY in the design of photocatalytic reactions.

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    Supporting Information

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    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.oprd.3c00167.

    • Detailed calculations for the data in Table 1; percentage breakdown for total light costs for the data in Table 1; details of kinetic modeling; predicted product and QTs from kinetic modeling; details of revenue modeling; and raw material cost calculations for the synthesis of ceralasertib (PDF)

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    Cited By

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    This article is cited by 8 publications.

    1. Liam K. Burt, Johnathon C. Robertson, Michael C. Breadmore, Timothy U. Connell, Alex C. Bissember. Investigating the Effects of Pulsed LED Irradiation in Photoredox Catalysis: A Pilot Study. Organometallics 2024, Article ASAP.
    2. Matthias Schmitz, Maria-Sophie Bertrams, Arne C. Sell, Felix Glaser, Christoph Kerzig. Efficient Energy and Electron Transfer Photocatalysis with a Coulombic Dyad. Journal of the American Chemical Society 2024, Article ASAP.
    3. Sebastian B. Beil, Sylvestre Bonnet, Carla Casadevall, Remko J. Detz, Fabian Eisenreich, Starla D. Glover, Christoph Kerzig, Line Næsborg, Sonja Pullen, Golo Storch, Ning Wei, Cathleen Zeymer. Challenges and Future Perspectives in Photocatalysis: Conclusions from an Interdisciplinary Workshop. JACS Au 2024, 4 (8) , 2746-2766. https://doi.org/10.1021/jacsau.4c00527
    4. Vanessa M. Huxter. Advancing Organic Photoredox Catalysis: Mechanistic Insight through Time-Resolved Spectroscopy. The Journal of Physical Chemistry Letters 2024, 15 (31) , 7945-7953. https://doi.org/10.1021/acs.jpclett.4c00895
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    7. Tatjana Jerkovic, Harriet Cruickshank, Yiding Chen, Alexandre F. Trindade, Aaron M. Dumas, John Edwards, Anthony Alorati, Hon Eong Ho. Development and Kilogram-Scale Implementation of a Flavin-Catalyzed Photoredox Fluorodecarboxylation. Organic Process Research & Development 2024, 28 (1) , 266-272. https://doi.org/10.1021/acs.oprd.3c00342
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    Organic Process Research & Development

    Cite this: Org. Process Res. Dev. 2023, 27, 7, 1411–1419
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.oprd.3c00167
    Published July 7, 2023
    Copyright © 2023 American Chemical Society
    Request reuse permissions

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