Tuning Photophysical Properties and ESIPT Mechanism of 10‐Hydroxybenzo[h]Quinoline by Ring‐Annelation Modification:A Theoretical Study DOI
He Sun, Yan Leng, Hongbo Liu

et al.

ChemistrySelect, Journal Year: 2025, Volume and Issue: 10(9)

Published: Feb. 27, 2025

Abstract The ring‐annelation modification of phenyl and naphthyl on excited‐state intramolecular proton transfer (ESIPT) photophysical properties seven 10‐hydroxybenzo[h]quinoline (HBQ) derivatives were investigated by density functional theory (DFT) time‐dependent (TDDFT) calculations. Potential energy curve (PEC) analysis suggests that is more probable in the excited state for all studied molecules. In particular, HBQ, HBQ‐B, HBQ‐C, HBQ‐D, HBQ‐C‐2, ESIPT can occur spontaneously. Naphthyl both at 8, 9‐position 2, 3‐position HBQ are unfavorable formation keto form tautomer excite state. Absorption fluorescence spectra analyses demonstrate absorption emission wavelength increase with extending conjugation effect. It also found 3, 4 ‐position very important near‐infrared emission.

Language: Английский

Recent advancements over the past four years in ESIPT-based organic lasers DOI
Hossein Roohi

Dyes and Pigments, Journal Year: 2025, Volume and Issue: 239, P. 112721 - 112721

Published: Feb. 26, 2025

Language: Английский

Citations

1
Tuning Photophysical Properties and ESIPT Mechanism of 10‐Hydroxybenzo[h]Quinoline by Ring‐Annelation Modification:A Theoretical Study DOI
He Sun, Yan Leng, Hongbo Liu

et al.

ChemistrySelect, Journal Year: 2025, Volume and Issue: 10(9)

Published: Feb. 27, 2025

Abstract The ring‐annelation modification of phenyl and naphthyl on excited‐state intramolecular proton transfer (ESIPT) photophysical properties seven 10‐hydroxybenzo[h]quinoline (HBQ) derivatives were investigated by density functional theory (DFT) time‐dependent (TDDFT) calculations. Potential energy curve (PEC) analysis suggests that is more probable in the excited state for all studied molecules. In particular, HBQ, HBQ‐B, HBQ‐C, HBQ‐D, HBQ‐C‐2, ESIPT can occur spontaneously. Naphthyl both at 8, 9‐position 2, 3‐position HBQ are unfavorable formation keto form tautomer excite state. Absorption fluorescence spectra analyses demonstrate absorption emission wavelength increase with extending conjugation effect. It also found 3, 4 ‐position very important near‐infrared emission.

Language: Английский

Citations

0