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 …
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
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 …
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 …
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 …
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
The experimental UV and CV of five substituted 2‐hydroxybenzophenones in solvents
acetonitrile, n‐dimethylformamide and dimethylsulfoxide are presented. Results obtained …
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 …
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 …
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
Excited state intramolecular proton transfer (ESIPT) and subsequent intramolecular charge
transfer (ICT) dynamics of a 2-(2′-hydroxyphenyl) benzoxazole derivative conjugated with …
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 …
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 …
approaches have been applied in the study of energetic (E), geometrical (G) and electronic …