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Updated: Feb 12, 2026

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Configuration-packing synergy enabling integrated crystalline-state RTP and amorphous-state TADF.

Ruiyan Wang1, Yunan Wu2,3

  • 1Sendelta International School, Shenzhen 518038, China.

Beilstein Journal of Organic Chemistry
|February 11, 2026
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Summary
This summary is machine-generated.

This study presents a twisted molecule exhibiting distinct light-emission properties based on its physical state. It shows room-temperature phosphorescence in powder form and thermally activated delayed fluorescence in amorphous films.

Keywords:
imideroom-temperature phosphorescencethermally activated delayed fluorescenceπ–π stacking

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Area of Science:

  • Organic Chemistry
  • Materials Science
  • Photophysics

Background:

  • Designing molecules with tunable photophysical properties is crucial for advanced optoelectronic applications.
  • Controlling emission mechanisms like phosphorescence and thermally activated delayed fluorescence (TADF) in a single material remains a challenge.

Purpose of the Study:

  • To design and synthesize a novel twisted donor-acceptor molecule (PI-Cz 1) capable of exhibiting different emission behaviors.
  • To investigate the phase-dependent photophysical properties, specifically room-temperature phosphorescence (RTP) and TADF, of the synthesized molecule.

Main Methods:

  • Synthesis of the twisted D-π-A molecule PI-Cz 1.
  • Single-crystal X-ray diffraction for structural analysis.
  • Photophysical measurements including steady-state and time-resolved emission spectroscopy.
  • Computational analysis (frontier-orbital analysis) to understand electronic structure.

Main Results:

  • The synthesized molecule PI-Cz 1 possesses a non-coplanar structure with localized HOMO and LUMO on donor (carbazole) and acceptor (phthalimide) units, respectively, leading to a small singlet-triplet energy gap.
  • Powder samples exhibited RTP with a lifetime of ~0.39 s, characterized by strong thermal quenching.
  • Amorphous films displayed temperature-dependent delayed emission consistent with TADF, without RTP.

Conclusions:

  • The molecule PI-Cz 1 demonstrates a unique ability to switch between RTP and TADF based on its solid-state phase (crystalline vs. amorphous).
  • Intermolecular interactions and crystalline confinement in powder states favor RTP, while amorphous environments lacking these features promote TADF.
  • This work provides a strategy for integrating crystalline-state RTP and amorphous-state TADF within a single molecular design.