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NIR-II photothermal conversion and imaging based on a cocrystal containing twisted components.

Tao Li1,2, Jia-Chuan Liu1, En-Ping Liu3

  • 1Key Laboratory of Bioinorganic and Synthetic Chemistry of Ministry of Education, School of Chemistry, Institute of Green Chemistry and Molecular Engineering, Sun Yat-Sen University Guangzhou Guangdong 510006 China tongml@mail.sysu.edu.cn.

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A novel metal-free cocrystal, TTF-TCPDA, demonstrates exceptional near-infrared-II (NIR-II) photothermal conversion. This breakthrough addresses the scarcity of high-performance organic NIR-II materials for advanced imaging and therapeutic applications.

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Area of Science:

  • Materials Science
  • Organic Chemistry
  • Photophysics

Background:

  • The development of high-performance organic photothermal materials is hindered by a scarcity of molecules with adequate second near-infrared (NIR-II) absorption.
  • Efficient NIR-II absorbing materials are crucial for advanced biomedical applications, including photothermal therapy and imaging.

Purpose of the Study:

  • To design and investigate a novel metal-free organic cocrystal with enhanced NIR-II photothermal conversion capabilities.
  • To elucidate the photothermal conversion mechanism in the developed cocrystal for future material design.

Main Methods:

  • Cocrystal formation using tetrathiafulvalene (TTF) and tetrachloroperylene dianhydride (TCPDA).
  • Characterization using single crystal X-ray diffraction, photoluminescence, and femtosecond transient absorption spectroscopy.
  • Theoretical calculations and 1064 nm laser irradiation for photothermal performance evaluation.

Main Results:

  • A stable radical was generated via charge transfer, leading to strong and broad NIR-II absorption.
  • The TTF-TCPDA cocrystal exhibited high photothermal conversion efficiency and clear photothermal imaging capabilities.
  • Analysis revealed suppressed radiative decay due to space charge separation and ordered lattice, alongside enhanced non-radiative decay from intermolecular charge transfer and twisted component configurations.

Conclusions:

  • The TTF-TCPDA cocrystal represents a promising metal-free organic material for NIR-II photothermal applications.
  • Understanding the interplay of charge transfer, lattice order, and molecular configuration is key to optimizing photothermal conversion.
  • This study provides a new paradigm for designing advanced organic NIR-II photothermal materials.