Tactfully Regulating the Esipt and Tict Mechanism in the Aie-Active Multifunctional Triphenylamine Schiff-Base Compound (Tpasb) by Methyl Substitution DOI

Jiaan Gao,

Min Yang,

Hongyan Mu

et al.

Published: Jan. 1, 2024

The triphenylamine Schiff-base (TPASB), with dual proton transfer sites (N1...H1-O1 (R1) and N2...H2-O2 (R2)), which is crucial in the field of optoelectronic materials. Herein, a novel molecular design strategy for preparation TPASB-1 TPASB-2 by selective methylation hydroxyl group at R2 or R1 position. By analysis electronic structures potential energy surfaces, it shows that single ESIPT process TPASB only occurs R1. Nevertheless, was successfully turned on R2. More notably, substitution triggers TICT process, effectively lowering barrier compared to TPASB. Our theoretical study not explained role substituent effect regulating behavior, but also provided valuable guidance synthesize efficacious ESIPT-active compounds.

Language: Английский

Elucidating the Role of Water-Mediated Hydrogen Bonds in the Esipt Process of a Reversible Fluorescent Probe: A Dft/Td-Dft Investigation DOI
Yifu Zhang,

Yihan Gao,

Xiaonan Wang

et al.

Published: Jan. 1, 2025

Language: Английский

Citations

0
Tactfully regulating the ESIPT and TICT mechanism in the AIE-active multifunctional triphenylamine Schiff-base compound (TPASB) by methyl substitution DOI

Jiaan Gao,

Min Yang,

Hongyan Mu

et al.

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, Journal Year: 2024, Volume and Issue: 322, P. 124866 - 124866

Published: July 22, 2024

Language: Английский

Citations

1
Insight into solvation-regulated emission: Dissecting the switchable ESIPT/ESPT mechanisms in HNT molecule DOI

Wentian Zhang,

Hang Yin,

Chunyue Yu

et al.

Journal of Photochemistry and Photobiology A Chemistry, Journal Year: 2024, Volume and Issue: 460, P. 116124 - 116124

Published: Oct. 31, 2024

Language: Английский

Citations

1
Tactfully Regulating the Esipt and Tict Mechanism in the Aie-Active Multifunctional Triphenylamine Schiff-Base Compound (Tpasb) by Methyl Substitution DOI

Jiaan Gao,

Min Yang,

Hongyan Mu

et al.

Published: Jan. 1, 2024

The triphenylamine Schiff-base (TPASB), with dual proton transfer sites (N1...H1-O1 (R1) and N2...H2-O2 (R2)), which is crucial in the field of optoelectronic materials. Herein, a novel molecular design strategy for preparation TPASB-1 TPASB-2 by selective methylation hydroxyl group at R2 or R1 position. By analysis electronic structures potential energy surfaces, it shows that single ESIPT process TPASB only occurs R1. Nevertheless, was successfully turned on R2. More notably, substitution triggers TICT process, effectively lowering barrier compared to TPASB. Our theoretical study not explained role substituent effect regulating behavior, but also provided valuable guidance synthesize efficacious ESIPT-active compounds.

Language: Английский

Citations

0