Quantum mechanics

Acceptor

Supramolecular chemistry

Förster resonance energy transfer

Yield (engineering)

Photochemistry

Metallurgy

Materials science

Nuclear physics

Crystal structure

Cocrystal

Molecule

Photoluminescence

Quantum yield

Intermolecular force

Physics

Organic chemistry

Optics

HOMO/LUMO

Singlet state

Fluorescence

Condensed matter physics

Excited state

Crystallography

Chemistry

Intersystem crossing

Optoelectronics

Hydrogen bond

Angewandte Chemie International Edition

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.

A Calix[3]acridan‐Based Host–Guest Cocrystal Exhibiting Efficient Thermally Activated Delayed Fluorescence