Modulating the ESIPT Mechanism and Luminescence Characteristics of Two Reversible Fluorescent Probes by Solvent Polarity: A Novel Perspective

Molecules, Год журнала: 2024, Номер 29(7), С. 1629 - 1629

Опубликована: Апрель 5, 2024

As reversible fluorescent probes, HTP-1 and HTP-2 have favourable applications for the detection of Zn2+ H2S. Herein, impact solvent on excited-state intramolecular proton transfer (ESIPT) was comprehensively investigated. The obtained geometric parameters infrared (IR) vibrational analysis associated with hydrogen bond (IHB) indicated that strength IHB weakened in excited state. Moreover, structural torsion almost no ICT behaviour ESIPT process did not occur HTP-1. Nevertheless, when 7-nitro-1,2,3-benzoxadiazole (NBD) group replaced H atom, enhanced after photoexcitation, which inhibited twisting tetraphenylethylene, thereby opening channel. Notably, hole-electron frontier molecular orbitals revealed charge decoupling effect reason fluorescence quenching HTP-2. Furthermore, potential energy curves (PECs) more inclined to polar solvents than nonpolar solvents. With a decrease polarity, it conducive process. Our study systematically presents different mechanisms two probe molecules regulated by providing new insights into design development novel probes.

Язык: Английский

---

Ingeniously regulating the conformational equilibrium and ESPT mechanism of HBT-DPI by solvent environment: A novel perspective

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, Год журнала: 2025, Номер 330, С. 125739 - 125739

Опубликована: Янв. 10, 2025

Язык: Английский

---

Theoretical explorations about excited-state behaviours associated with solvent polarity effects for 1,5-dihydroxy-2,6-diphenylanthraquinone fluorophore

Molecular Physics, Год журнала: 2025, Номер unknown

Опубликована: Апрель 3, 2025

Язык: Английский

---

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

Опубликована: Янв. 1, 2025

Язык: Английский

---

Theoretical investigation on the “turn-on” mechanism of a novel fluorescent probe TB-N2H4: Twisted intramolecular charge transfer and excited-state dual proton transfer

Computational and Theoretical Chemistry, Год журнала: 2024, Номер 1237, С. 114655 - 114655

Опубликована: Май 18, 2024

Язык: Английский

---

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

RSC Advances, Год журнала: 2024, Номер 14(36), С. 26239 - 26245

Опубликована: Янв. 1, 2024

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

Язык: Английский

---

Deepening insights of AIE plus TICT activated fluorescent sensor mechanism in probe molecule DPA-CI

Chemical Physics Letters, Год журнала: 2024, Номер 847, С. 141369 - 141369

Опубликована: Май 27, 2024

Язык: Английский

---