研究目的
Investigating the photo-physical properties of thermally activated delayed fluorescent materials upon distortion of the central axis of the donor moiety to modulate the rate of reverse intersystem crossing (kRISC).
研究成果
The distortion of the central axis of donor moieties in D-A-D type TADF materials can critically switch the rate of reverse intersystem crossing (kRISC), influencing the lifetime of delayed fluorescence. The interaction between locally excited triplet state (3LE) and charge transfer counterparts (1CT and 3CT) contributes to opposite propensities of kRISC in solution and solid-state, demonstrating the importance of molecular design in modulating TADF properties.
研究不足
The study focuses on specific donor groups (phenoxazine and phenothiazine) and their interaction with a benzonitrile acceptor, which may limit the generalizability of findings to other donor-acceptor systems. The experimental conditions (solution and solid-state) may also influence the observed photo-physical behaviors.
1：Experimental Design and Method Selection:
The study involved the synthesis of D-A-D type TADF materials with selective introduction of donor groups (phenoxazine and phenothiazine) to achieve desired kRISC rates. Theoretical and experimental methods were used to analyze photo-physical behaviors.
2：Sample Selection and Data Sources:
Target TADF materials (DPtBn and DPxBn) were synthesized and their properties were analyzed in solution and solid-state.
3：List of Experimental Equipment and Materials:
Instruments included a Bruker Avance 400 MHz NMR spectrometer, AccuTOF-TLC singlet-reflection time-of-flight mass spectrometer, TGA 50, cyclic voltammetry equipment, UV-vis spectrophotometer, PerkinElmer PL spectrophotometer, and time-resolved PL spectroscopy.
4：Experimental Procedures and Operational Workflow:
Synthesis of TADF materials, measurement of thermal properties, absorption and PL spectra, and device fabrication and measurements.
5：Data Analysis Methods:
Data were analyzed using DFT and TD-DFT calculations, Marcus framework for PL spectra fitting, and Arrhenius equation for RISC behavior analysis.
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