Abstract
The luminescent properties of Naphthyridine-based thermally activated delayed fluorescence (TADF) emitter (CZ-ND) have been studied theoretically. The smaller energy difference (0.16 eV) and larger reverse intersystem crossing (RISC) rate (1.43 × 105 s−1) in solid state are conducive to the RISC process. The enhanced spin-orbit coupling (0.233 cm−1) between S1 (1CT) and T1 (3HLCT) states in solid state promotes the ISC process. The decreased of Huang-Rhys factor and reorganization energy in solid state lead to the reduction of the non-radiative energy consumption. Furthermore, the improved fluorescence efficiency in solid state (18.9 %) further reveals the aggregation-induced emission (AIE) property.
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