Unveiling the TADF Emitters with Apparent Negative Singlet-Triplet Gaps: Implications for Exciton Harvesting and OLED Performance

Xinrui Chen, Sergey Bagnich, Robert Pollice, Bing Li, Yuanyuan Zhu, Rishabh Saxena, Yixiao Yin, Weiguo Zhu, Alan Aspuru‐Guzik, Eli Zysman‐Colman, Anna Köhler, Yafei Wang

Intramolecular through-space charge transfer thermally activated delayed fluorescence (TSCT-TADF) has attracted much attention recently as it can achieve both small energy splitting and high emission efficiency. However, the relationship of excited states between TSCT and through-bond charge transfer (TBCT) remains a challenge in the TSCT-TADF molecules. Herein, three compounds DPS-m-bAc, DPS-p-bAc, and DPS-OAc that possess […]