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<p>Small-molecule phosphorescent materials feature high chemical purity and tailorable luminescence, yet aggregation-caused quenching (ACQ) and poor thermal stability remain critical bottlenecks. Herein, we designed and synthesized a series of carbazole-based derivatives (<b>K-CN</b>, <b>K-Br₂</b>, <b>K-Cl</b>, <b>K-Br</b>), these compounds bear heavy-atom substituents (–Br, –Cl) and rigid skeletons to enhance spin-orbit coupling for efficient intersystem crossing. The rigid carbazole backbone suppresses non - radiative decay, and the optimized molecular structure avoids quenching. Exhibiting relatively extended phosphorescent afterglow durations (0.6–3&#xa0;s) and long phosphorescence lifetimes (<i>τ</i><sub><i>p</i></sub>: 4.2-177.3 ms) at 77&#xa0;K. Doping these compounds into a PMMA matrix yields composite materials with significantly enhanced room-temperature phosphorescence. <b>K-CN</b> stands out with the longest lifetime (177.3 ms) and room-temperature phosphorescent afterglow (2&#xa0;s), and favorable energy level gaps (S₁–T₅ ≈ 0.158&#xa0;eV) via TD-DFT calculations, and hold great potential for applications in optoelectronic devices such as organic light-emitting diodes (OLEDs).</p>

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Dual-Mechanism Synergistic Enhancement of Room-Temperature Phosphorescence in Carbazole Derivatives

  • 期刊论文

  • 发表日期：

    2026年3月27日

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  • Wangen Zhu,
  • Chi Zhang,
  • Delong Ma,
  • Jiaying Yan,
  • Yong Qi,
  • Nuonuo Zhang

摘要

Small-molecule phosphorescent materials feature high chemical purity and tailorable luminescence, yet aggregation-caused quenching (ACQ) and poor thermal stability remain critical bottlenecks. Herein, we designed and synthesized a series of carbazole-based derivatives (K-CN, K-Br₂, K-Cl, K-Br), these compounds bear heavy-atom substituents (–Br, –Cl) and rigid skeletons to enhance spin-orbit coupling for efficient intersystem crossing. The rigid carbazole backbone suppresses non - radiative decay, and the optimized molecular structure avoids quenching. Exhibiting relatively extended phosphorescent afterglow durations (0.6–3 s) and long phosphorescence lifetimes (τp: 4.2-177.3 ms) at 77 K. Doping these compounds into a PMMA matrix yields composite materials with significantly enhanced room-temperature phosphorescence. K-CN stands out with the longest lifetime (177.3 ms) and room-temperature phosphorescent afterglow (2 s), and favorable energy level gaps (S₁–T₅ ≈ 0.158 eV) via TD-DFT calculations, and hold great potential for applications in optoelectronic devices such as organic light-emitting diodes (OLEDs).