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Catalysis by Pure Graphene—From Supporting Actor to Protagonist through Shape Complementarity

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    Catalysis by Pure Graphene—From Supporting Actor to Protagonist through Shape Complementarity
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    The Journal of Organic Chemistry

    Cite this: J. Org. Chem. 2019, 84, 17, 11343–11347
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    https://doi.org/10.1021/acs.joc.9b01909
    Published August 9, 2019
    Copyright © 2019 American Chemical Society
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    Abstract

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    In most catalytic applications, graphene is either functionalized or acts as the catalyst support. DFT calculations show on the example of the racemizations of binaphthyl compounds that pure unmodified graphene can directly catalyze chemical processes through stabilizing noncovalent π–π interactions resulting from shape complementarity between transition structures and catalyst.

    Copyright © 2019 American Chemical Society

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    Supporting Information

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    The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.joc.9b01909.

    • Cartesian coordinates of all optimized structures, structural representations providing all bond lengths, and additional structural representations of the complexes between reactants and transition structures and catalyst (PDF)

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    This article is cited by 18 publications.

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    The Journal of Organic Chemistry

    Cite this: J. Org. Chem. 2019, 84, 17, 11343–11347
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.joc.9b01909
    Published August 9, 2019
    Copyright © 2019 American Chemical Society
    Request reuse permissions

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