Theoretical study on the mechanism of aggregation-induced emission in red thermally activated delayed fluorescence molecules: trans/cis-arrangement effect
“…Such a trade-off originates from the inefficient RISC between the singlet CT excited state and triplet CT excited state, thereby minimizing Δ E ST and making it technically impractical to improve k RISC . 20–22 Generally, the 〈S| Ĥ soc |T〉 value of an emitter with S 1 (CT state) and T 1 (CT) tends to be small but with a small Δ E ST , while 〈S| Ĥ soc |T〉 would be large if the molecule exhibits S 1 (CT) and T 1 (LE).…”
Three TADF emitters with hydrogen bonds are designed and synthesized. The rate constant of reverse intersystem crossing is enhanced. The external quantum efficiency reaches 25.1% with blue emission peaks at 480 nm.
“…Such a trade-off originates from the inefficient RISC between the singlet CT excited state and triplet CT excited state, thereby minimizing Δ E ST and making it technically impractical to improve k RISC . 20–22 Generally, the 〈S| Ĥ soc |T〉 value of an emitter with S 1 (CT state) and T 1 (CT) tends to be small but with a small Δ E ST , while 〈S| Ĥ soc |T〉 would be large if the molecule exhibits S 1 (CT) and T 1 (LE).…”
Three TADF emitters with hydrogen bonds are designed and synthesized. The rate constant of reverse intersystem crossing is enhanced. The external quantum efficiency reaches 25.1% with blue emission peaks at 480 nm.
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