New insights into the dual fluorescence of methyl salicylate: effects of intermolecular hydrogen bonding and solvation

P Zhou, MR Hoffmann, K Han, G He - The Journal of Physical …, 2015 - ACS Publications
In this paper, we propose a new and complete mechanism for dual fluorescence of methyl
salicylate (MS) under different conditions using a combined experimental (ie, steady-state …

A novel non-fluorescent excited state intramolecular proton transfer phenomenon induced by intramolecular hydrogen bonds: an experimental and theoretical …

H Yin, H Li, G Xia, C Ruan, Y Shi, H Wang, M Jin… - Scientific reports, 2016 - nature.com
Abstract Two molecules, 1-hydroxypyrene-2-carbaldehyde (HP) and 1-methoxypyrene-2-
carbaldehyde (MP) were explored. We investigated their photophysical properties, using …

Interplay of dual-proton transfer relay to achieve full-color panel luminescence in excited-state intramolecular proton transfer (ESIPT) fluorophores

SZ Yi, BN Li, PY Fu, M Pan, CY Su - ACS Applied Materials & …, 2023 - ACS Publications
A new design was applied for the facile synthesis of pure organic photoluminescent
molecules with dual excited-state intramolecular proton transfer (ESIPT) sites. In this novel …

Effects of the cyano substitution at different positions on the ESIPT properties of alizarin: A DFT/TD-DFT investigation

C Sun, H Li, H Yin, Y Li, Y Shi - Journal of Molecular Liquids, 2018 - Elsevier
Abstract Three novel molecules (AL-1, AL-2 and AL-3) were designed based on the
substitution of cyano group for hydrogen atoms at different positions on alizarin, and the …

Paying comprehensive attention to the temperature-dependent dual-channel excited-state intramolecular proton transfer mechanism of fluorescence ratio probe BZ …

J Gao, Y Zhang, H Mu, M Yang, X Guan, G Jin… - International Journal of …, 2023 - mdpi.com
The mechanism of fluorescence detection of diethyl chlorophosphate (DCP) based on 2-
substituted benzothiazole (BZ-DAM) was studied by a theoretical calculation method. It …

Regulating the ESIPT processes and photophysical properties of indole derivates by introducing the appropriate functional groups

M Ma, Y Zhang, C Sun - Journal of Molecular Liquids, 2023 - Elsevier
In this work, the substitution effect of different electron-donating and electron-withdrawing
groups on the electron spectra and excited state intramolecular proton transfer (ESIPT) …

Regular tuning of the ESIPT reaction of 3-hydroxychromone-based derivatives by substitution of functional groups

C Sun, X Su, Q Zhou, Y Shi - Organic Chemistry Frontiers, 2019 - pubs.rsc.org
The excited state intramolecular proton transfer (ESIPT) reaction and photophysical
properties of a series of 3-hydroxychromone (HC)-based derivatives (BFHC, BTHC, BSeHC …

TDDFT study of twisted intramolecular charge transfer and intermolecular double proton transfer in the excited state of 4′-dimethylaminoflavonol in ethanol solvent

Y Wang, Y Shi, L Cong, H Li - Spectrochimica Acta Part A: Molecular and …, 2015 - Elsevier
Time-dependent density functional theory method at the def-TZVP/B3LYP level was
employed to investigate the intramolecular and intermolecular hydrogen bonding dynamics …

Time-dependent density functional theory study on the excited-state intramolecular proton transfer in salicylaldehyde

H Yin, Y Shi, Y Wang - Spectrochimica Acta Part A: Molecular and …, 2014 - Elsevier
Time-dependent density functional theory method was performed to investigate the excited
state intramolecular hydrogen bond dynamics of salicylaldehyde (SA). The geometric …

Theoretical investigation on the ESIPT process and detection mechanism for dual-proton type fluorescent probe

Y Cao, X Yu, C Sun, J Cui - International Journal of Molecular Sciences, 2022 - mdpi.com
Recently, a new fluorescent probe AE-Phoswas reported to detect the activity of alkaline
phosphatases (ALP) in different living cell lines. Here, we present an in-depth computational …