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Hydrogen Bonding Versus π-Stacking in Charge-Transfer Co-crystals
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    Hydrogen Bonding Versus π-Stacking in Charge-Transfer Co-crystals
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    Crystal Growth & Design

    Cite this: Cryst. Growth Des. 2021, 21, 5, 2609–2613
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    https://doi.org/10.1021/acs.cgd.1c00309
    Published April 12, 2021
    Copyright © 2021 American Chemical Society

    Abstract

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    We report a comparative study of two structurally similar donor–acceptor complexes with (1a) and without (2a) H-bonding using X-ray crystallography, spectroscopic analysis, and density functional theory calculations. H-Bonding enhances the donor–acceptor interactions, as manifested in a narrower band gap and shorter π-stacking distance in 1a versus 2a, despite 2 being a stronger donor than 1. Thin-film transistors of 1a showed ambipolar charge transport with “double dip” characteristics, whereas no transistor behavior was observed for 2a.

    Copyright © 2021 American Chemical Society

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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.cgd.1c00309.

    • Experimental details, cyclic voltammograms, EPR, Kubelka–Munk plots, additional computational details (PDF)

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    CCDC 20635582063559 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.ccdc.cam.ac.uk/data_request/cif, or by emailing [email protected], or by contacting The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK; fax: +44 1223 336033.

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    Crystal Growth & Design

    Cite this: Cryst. Growth Des. 2021, 21, 5, 2609–2613
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.cgd.1c00309
    Published April 12, 2021
    Copyright © 2021 American Chemical Society

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