Enhancing reverse intersystem crossing process of thermally activated delayed fluorescence molecules with through-space charge transfer feature by acceptor engineering strategy DOI
Kunwei Pang, Huanling Liu, Jianzhong Fan

et al.

Molecular Physics, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 20, 2024

Developing efficient thermally activated delayed fluorescence (TADF) molecule with through-space charge transfer (TSCT) feature remains a great challenge, and theoretical investigation to reveal the inner luminescence mechanisms is highly desired. Herein, photophysical properties of eight TSCT-type TADF molecules are studied by first-principle calculations. Results show that small S1–T1 energy gaps large SOC constants obtained for all molecules, transition can be adjusted acceptor engineering strategy. The ISC RISC processes enhanced adopting A–D–A configurations. Thus, previous experimental measurements reasonably explained, six new proposed.

Language: Английский

Enhancing reverse intersystem crossing process of thermally activated delayed fluorescence molecules with through-space charge transfer feature by acceptor engineering strategy DOI
Kunwei Pang, Huanling Liu, Jianzhong Fan

et al.

Molecular Physics, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 20, 2024

Developing efficient thermally activated delayed fluorescence (TADF) molecule with through-space charge transfer (TSCT) feature remains a great challenge, and theoretical investigation to reveal the inner luminescence mechanisms is highly desired. Herein, photophysical properties of eight TSCT-type TADF molecules are studied by first-principle calculations. Results show that small S1–T1 energy gaps large SOC constants obtained for all molecules, transition can be adjusted acceptor engineering strategy. The ISC RISC processes enhanced adopting A–D–A configurations. Thus, previous experimental measurements reasonably explained, six new proposed.

Language: Английский

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