Influence of Internal Molecular Motions in the Photothermal Conversion Effect of Charge-Transfer Cocrystals
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American Chemical Society
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Herein, we report two new charge-transfer organic cocrystals, CP-TCNQ and CP-TFBQ. The two cocrystals exhibit broad absorption, good thermal stability, and low photoluminescence quantum yields, the necessary requirements to show the photothermal conversion (PTC) effect. Indeed, the two cocrystals exhibit distinct PTC efficiencies of 11.0 ± 1.4% (CP-TCNQ) and 17.0 ± 1.0% (CP-TFBQ). The 55% improvement in the observed efficiencies is attributed to the fast in-plane reorientations of the TFBQ fragment, as determined by detailed ssNMR spectroscopy and DFT calculations. This work provides for the first time experimental and computational evidence that the molecular motion of a cocrystal coformer increases its PTC efficiency, paving the way to the design of new crystalline materials with PTC as a regulated property.
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Armando Navarro-Huerta, David A. Hall, Jan Blahut, Virginia Gómez-Vidales, Simon J. Teat, Juan M. Marmolejo-Tejada, Martin Dračínský, Martín A. Mosquera, and Braulio Rodríguez-Molina Chemistry of Materials 2023 35 (23), 10009-10017 DOI: 10.1021/acs.chemmater.3c01944
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Except where otherwised noted, this item's license is described as Copyright American Chemical Society 2023