The theoretical study of excited-state intramolecular proton transfer of N, N,-bis (salicylidene)-(2-(3 ″4′-diaminophenyl) benzothiazole)

G Zhao, Y Yang, C Zhang, Y Song, Y Li - Journal of Luminescence, 2021 - Elsevier
In recent experiments, a novel chromophore (N, N,-bis (salicylidene)-(2-(3 ″4′-
diaminophenyl) benzothiazole)(BTS)) with double hydrogen bond structure was …

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 …

Ab initio potential-energy functions for excited state intramolecular proton transfer: a comparative study of o-hydroxybenzaldehyde, salicylic acid and 7-hydroxy-1 …

AL Sobolewski, W Domcke - Physical Chemistry Chemical Physics, 1999 - pubs.rsc.org
Potential-energy profiles along the minimum-energy reaction path for intramolecular proton
transfer in the 1ππ* excited state have been calculated for the title compounds. The …

A DFT study on intramolecular hydrogen bonding in 2-substituted phenols: conformations, enthalpies, and correlation with solute parameters

HG Korth, MI de Heer, P Mulder - The Journal of Physical …, 2002 - ACS Publications
For a series of 61 2-substituted phenols, 2-X− PhOH, forming a total of 73 intramolecular
hydrogen bonds, the intramolecular hydrogen bond enthalpy, Δ H intra-HB, has been …

Cyclic Voltammetric Study of 2‐Hydroxybenzophenone (HBP) Derivatives and the Correspondent Change in the Orbital Energy Levels in Different Solvents

AA Adeniyi, TL Ngake, J Conradie - Electroanalysis, 2020 - Wiley Online Library
The experimental UV and CV of five substituted 2‐hydroxybenzophenones in solvents
acetonitrile, n‐dimethylformamide and dimethylsulfoxide are presented. Results obtained …

Comprehensive studies on excited-state proton transfer of a series of 2-(2′-hydroxyphenyl) benzothiazole derivatives: synthesis, optical properties, and theoretical …

J Cheng, D Liu, W Li, L Bao, K Han - The Journal of Physical …, 2015 - ACS Publications
A group of novel 2-(2′-hydroxyphenyl) benzothiazole derivatives (1–4) with excited-state
intramolecular proton transfer (ESIPT) character were synthesized. Their photophysical …

Ultrafast excited-state proton transfer of 2-(2 '-hydroxyphenyl) benzothiazole: Theoretical analysis of the skeletal deformations and the active vibrational modes

R de Vivie-Riedle, V De Waele, L Kurtz… - The Journal of Physical …, 2003 - ACS Publications
The involvement of skeletal deformations in the ultrafast excited-state proton transfer of 2-(2 '-
hydroxyphenyl) benzothiazole (HBT) and the identification of the vibrational modes active in …

Excited state intramolecular proton transfer and charge transfer dynamics of a 2-(2′-hydroxyphenyl) benzoxazole derivative in solution

CH Kim, J Park, J Seo, SY Park… - The Journal of Physical …, 2010 - ACS Publications
Excited state intramolecular proton transfer (ESIPT) and subsequent intramolecular charge
transfer (ICT) dynamics of a 2-(2′-hydroxyphenyl) benzoxazole derivative conjugated with …

A perspective on the ultrafast photochemistry of solution-phase sunscreen molecules

LA Baker, SE Greenough… - The Journal of Physical …, 2016 - ACS Publications
Sunscreens are one of the most common ways of providing on-demand additional
photoprotection to the skin. Ultrafast transient absorption spectroscopy has recently proven …

An integrated approach to the study of intramolecular hydrogen bonds in malonaldehyde enol derivatives and naphthazarin: Trend in energetic versus geometrical …

RN Musin, YH Mariam - Journal of physical organic chemistry, 2006 - Wiley Online Library
Density functional and atoms‐in‐molecules (AIM) and natural bond orbital (NBO)
approaches have been applied in the study of energetic (E), geometrical (G) and electronic …