Electronic Structure Effects on the Double Proton Transfer Reactions: A Case Study for Substituted Formic Acid Dimer DOI Creative Commons

Mokshi Sharma,

Princy Jarngal,

N. Hari Prakash

et al.

Chemical Physics Impact, Journal Year: 2024, Volume and Issue: unknown, P. 100802 - 100802

Published: Dec. 1, 2024

Language: Английский

Photophysical properties of 3-hydroxyphthalimide fluorophores based on the ESIPT mechanism: A theoretical study DOI
Sai Zhang, Yutong Han, Yuning Wang

et al.

Chemical Physics Letters, Journal Year: 2025, Volume and Issue: unknown, P. 141992 - 141992

Published: Feb. 1, 2025

Language: Английский

Citations

1
ESDPT induced dual-tautomer fluorescence of newly designed 1,8-dihydroxy-2-naphthaldehyde analogue with different solvent polarity DOI

Lyu Yongkang,

Xu He,

Cui Yonglin

et al.

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, Journal Year: 2025, Volume and Issue: 335, P. 126015 - 126015

Published: March 7, 2025

Language: Английский

Citations

1
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

0
A combined experimental and computational study of electron transfer in the light harvesting perylenediimide-poly(p-phenylene) supramolecular dyad DOI
Mohamed E. El‐Khouly,

Ahmed M. Kobaisy,

Erol Yıldırım

et al.

Journal of Molecular Liquids, Journal Year: 2025, Volume and Issue: unknown, P. 127342 - 127342

Published: March 1, 2025

Language: Английский

Citations

0
Theoretical Design of H2S Fluorescent Probes Based on π Expansion and a Strong Electron‐Withdrawing Group DOI Creative Commons

Yulin Zhou,

Yan Jiang,

Zongyao Zhang

et al.

International Journal of Optics, Journal Year: 2025, Volume and Issue: 2025(1)

Published: Jan. 1, 2025

Hydrogen sulfide (H 2 S) regulates crucial physiological and pathological processes, its dysregulation is linked to serious diseases. A sensitive selective imaging method essential for detecting endogenous H S in complex biological systems. The probe benzo1‐DCM‐O‐NBD product benzo1‐DCM‐OH, derived from π expansion of the DCM‐O‐NBD probe, have been studied their luminescence mechanisms. Investigations into effects various geometric modifications on optical properties conducted. Results calculation reveal that introduction strong electron‐withdrawing substituent groups (F, Cl, Br, CN) benzopyran position benzo1‐DCM‐OH effectively suppresses molecular skeleton scissoring vibrations significant relaxations associated with line‐type expansion, thereby enhancing fluorescence emission. This approach also enhances two‐photon absorption (TPA) ability spectral resolution. CN‐benzo1‐DCM‐OH particularly exhibits excellent properties. These studies led identification potential materials detection provide easily distinguishable spectra (with a Stokes shift up 85.43 nm), improved luminous efficiency (14.1%), larger effective TPA cross section (295 GM at 950 nm). research provides more detailed theoretical framework design novel excited fluorescent probes.

Language: Английский

Citations

0
Importance of electronic and steric effects on proton tunneling dynamics of 2-substituted Malonaldehyde: A computational approach DOI
Luca Nanni, Savaş Kaya

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115225 - 115225

Published: April 1, 2025

Language: Английский

Citations

0
Effect of solvents and polymers microenvironment on the photophysical behaviour of 2,6-dihydroxy-4-methyl quinoline: Applications in photovoltaic technologies DOI

Rakesh Chandra Joshi,

Nupur Pandey,

Shahid Husain

et al.

Journal of Molecular Liquids, Journal Year: 2025, Volume and Issue: unknown, P. 127531 - 127531

Published: April 1, 2025

Language: Английский

Citations

0
Relationship between antioxidant activity and ESIPT process based on flavonoid derivatives: A comprehensive analysis DOI

Xingzhu Tang,

Lingling Wang, Yajie Zhang

et al.

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, Journal Year: 2024, Volume and Issue: 327, P. 125370 - 125370

Published: Nov. 2, 2024

Language: Английский

Citations

3
Theoretical investigation of the excited-state intramolecular double proton transfer process of 2,2′-(benzo[1,2-d:4,5-d′]bis(thiazole)-2,6-diyl)diphenol DOI Creative Commons
Yongchao Hao, Xiaoran Li, Hongfang Li

et al.

RSC Advances, Journal Year: 2024, Volume and Issue: 14(36), P. 26239 - 26245

Published: Jan. 1, 2024

In this work, the excited state intramolecular double proton transfer (ESIDPT) mechanism of 2,2'-(benzo[1,2-

Language: Английский

Citations

2
Excited-state antioxidant activity for Api based on external electric field-modulated ESIPT behavior: TD-DFT and molecular docking calculations DOI

Xingzhu Tang,

Ye Wang, Lingling Wang

et al.

Journal of Photochemistry and Photobiology B Biology, Journal Year: 2024, Volume and Issue: 262, P. 113087 - 113087

Published: Dec. 27, 2024

Language: Английский

Citations

1