1. A Calix[3]acridan‐Based Host–Guest Cocrystal Exhibiting Efficient Thermally Activated Delayed Fluorescence.
- Author
-
Zhou, He‐Ye, Zhang, Da‐Wei, Li, Meng, and Chen, Chuan‐Feng
- Subjects
- *
DELAYED fluorescence , *FRONTIER orbitals , *CHARGE transfer , *BAND gaps - Abstract
A supramolecular strategy to construct thermally activated delayed fluorescence (TADF) materials through host–guest charge transfer interactions was proposed. Consequently, a new class of macrocycle namely calix[3]acridan was conveniently synthesized in 90 % yield. The host–guest cocrystal formed by calix[3]acridan and 1,2‐dicyanobenzene exhibited efficient TADF properties due to intense intermolecular charge transfer interactions. Moreover, the spatially separated highest occupied molecular orbital and lowest unoccupied molecular orbital resulted in a very small singlet–triplet energy gap of 0.014 eV and hence guaranteed an efficient reverse intersystem crossing for TADF. Especially, a high photoluminescence quantum yield of 70 % was achieved, and it represents the highest value among the reported intermolecular donor–acceptor TADF materials. [ABSTRACT FROM AUTHOR]
- Published
- 2022
- Full Text
- View/download PDF