Dyes and Pigments, Journal Year: 2025, Volume and Issue: unknown, P. 112869 - 112869
Published: May 1, 2025
Language: Английский
Dyes and Pigments, Journal Year: 2025, Volume and Issue: unknown, P. 112869 - 112869
Published: May 1, 2025
Language: Английский
Coordination Chemistry Reviews, Journal Year: 2025, Volume and Issue: 531, P. 216520 - 216520
Published: Feb. 12, 2025
Language: Английский
Citations
2Coordination Chemistry Reviews, Journal Year: 2024, Volume and Issue: 524, P. 216303 - 216303
Published: Nov. 10, 2024
Language: Английский
Citations
5Journal of Pharmaceutical Investigation, Journal Year: 2025, Volume and Issue: unknown
Published: March 25, 2025
Language: Английский
Citations
0Coordination Chemistry Reviews, Journal Year: 2025, Volume and Issue: 538, P. 216643 - 216643
Published: April 18, 2025
Language: Английский
Citations
0Journal of Chemical Theory and Computation, Journal Year: 2025, Volume and Issue: unknown
Published: April 25, 2025
Aggregation-induced emission (AIE) has become a key focus in luminescent material development, with substituent modulation being critical strategy for expanding AIE systems. The S1/S0 minimum energy conical intersection (MECI) significantly influences molecular photophysical properties, making it essential understanding the phenomenon. Here, we employ anthracene derivatives, known their chemical versatility and applications organic light-emitting diodes (OLEDs), to systematically investigate effects of substituents on S1/S0-MECI. We select 22 derivatives varied electron-donating electron-withdrawing explore impacts S1/S0-MECI relative structure. Our findings reveal that strong or groups at C9-position effectively lower gaseous phase singly substituted thus enhancing phenomenon such molecules. Additionally, doubly same ring also slightly reduce isolated molecule. Based these insights, propose novel design focusing modulating through strategic selection, leading identification 24 AIEgens candidates among 81 derivatives. In summary, our study provides systematic approach designing molecules by effect. validity this is confirmed using 9-tBu-Ant molecule quantitative calculations.
Language: Английский
Citations
0Dyes and Pigments, Journal Year: 2025, Volume and Issue: unknown, P. 112869 - 112869
Published: May 1, 2025
Language: Английский
Citations
0