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March 21, 2026Journal of Materials Chemistry C3 citations

Computational insights into the synergistic modulation of Δ E ST , spin–orbit coupling, and reorganization energy in phthalimide-based TADF emitters

PPanahaKTK. R. Justin Thomas

Key Points

  • This research aims to understand key parameters influencing the performance of phthalimide-based TADF emitters.
  • Conduct computational design of phthalimide emitters.
  • Analyze the impact of reorganization energy, singlet–triplet gap, and spin–orbit coupling.
  • Evaluate through-space charge transfer and its effects on intersystem crossing.
  • Reorganization energy is a key parameter for optimizing TADF emitters.
  • Spin–orbit coupling and singlet–triplet gap significantly affect reverse intersystem crossing rates.
  • Through-space charge transfer is vital for enhancing TADF efficiency.

Abstract

Computational design of phthalimide emitters identifies reorganization energy as a key parameter, alongside singlet–triplet gap, spin–orbit coupling, and through-space charge transfer, governing fast reverse intersystem crossing in TADF materials.

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Cite This Study

Panaha et al. (2026) studied this question.

synapsesocial.com/papers/69be35e66e48c4981c6745e0https://doi.org/10.1039/d6tc00358c
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