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Visualizing molecular diffusion direction and processes in the solid state via dichromatic fluorescent

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This study visualizes solid-state molecular motion (SSMM) using charge transfer fluorescence, revealing unexpected diffusion disparities. This enables sensitive impurity detection and real-time reaction monitoring.

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Area of Science:

  • Materials Science
  • Supramolecular Chemistry
  • Chemical Physics

Background:

  • Solid-state molecular motion (SSMM) is crucial for material properties but challenging to visualize.
  • Understanding SSMM dynamics (direction, speed) is key to unlocking its full potential.
  • Existing methods lack the resolution to detail SSMM mechanisms.

Purpose of the Study:

  • To develop a method for visualizing and regulating SSMM in cocrystal systems.
  • To elucidate the detailed dynamics of SSMM, including diffusion rates and direction.
  • To demonstrate applications in impurity analysis and reaction monitoring.

Main Methods:

  • Utilized an intermolecular charge transfer (ICT)-mediated fluorescence strategy.
  • Employed a binary cocrystal system of 6-methoxy-2-acetylnaphthalene (MA) and 1,2,4,5-tetracyanobenzene (TCNB).
  • Leveraged reversible phase transformations (MA/TCNB=1/1 and MA/TCNB=1/2) for real-time visualization via dichromatic fluorescence.

Main Results:

  • Achieved real-time visualization of SSMM dynamics with localized dichromatic fluorescence signatures.
  • Observed significant disparities in diffusion rates between MA and TCNB, including unidirectional diffusion.
  • Demonstrated MA impurity analysis (down to 0.1%) and real-time monitoring of transesterification reactions.

Conclusions:

  • The ICT-mediated fluorescence strategy effectively visualizes and regulates SSMM.
  • Revealed novel insights into SSMM and cocrystallization mechanisms.
  • Charge transfer cocrystallization shows promise for molecular sensing and dynamic reaction monitoring.