On the Brønsted Acid-Catalyzed Homogeneous Hydrolysis of Furans

Authors

  • Nima Nikbin,

    1. Department Chemical and Biomolecular Engineering, Center for Catalysis Center for Energy Innovation, University of Delaware, 150 Academy Street, Newark, DE 19716 (USA)
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  • Dr. Stavros Caratzoulas,

    Corresponding author
    1. Department Chemical and Biomolecular Engineering, Center for Catalysis Center for Energy Innovation, University of Delaware, 150 Academy Street, Newark, DE 19716 (USA)
    • Department Chemical and Biomolecular Engineering, Center for Catalysis Center for Energy Innovation, University of Delaware, 150 Academy Street, Newark, DE 19716 (USA)

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  • Prof. Dr. Dionisios G. Vlachos

    Corresponding author
    1. Department Chemical and Biomolecular Engineering, Center for Catalysis Center for Energy Innovation, University of Delaware, 150 Academy Street, Newark, DE 19716 (USA)
    • Department Chemical and Biomolecular Engineering, Center for Catalysis Center for Energy Innovation, University of Delaware, 150 Academy Street, Newark, DE 19716 (USA)

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Abstract

original image

Furan affairs: Electronic structure calculations of the homogeneous Brønsted acid-catalyzed hydrolysis of 2,5-dimethylfuran show that proton transfer to the β-position is rate-limiting and provides support that the hydrolysis follows general acid catalysis. By means of projected Fukui indices, we show this to be the case for unsubstituted, 2-, and 2,5-substituted furans with electron-donating groups.

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