Electronic structure changes of an aromatic amine photoacid along the Förster cycle
S Eckert, MO Winghart, C Kleine… - Angewandte Chemie …, 2022 - Wiley Online Library
Photoacids show a strong increase in acidity in the first electronic excited state, enabling
real‐time studies of proton transfer in acid‐base reactions, proton transport in energy …
real‐time studies of proton transfer in acid‐base reactions, proton transport in energy …
Ultrafast transient absorption and solvation of a super-photoacid in acetoneous environments
J Knorr, N Sülzner, B Geissler, C Spies… - Photochemical & …, 2022 - Springer
The phenomenon of photoacidity, ie, an increase in acidity by several orders of magnitude
upon electronic excitation, is frequently encountered in aromatic alcohols capable of …
upon electronic excitation, is frequently encountered in aromatic alcohols capable of …
Computational investigation of explicit solvent effects and specific interactions of hydroxypyrene photoacids in acetone, DMSO, and water
N Sülzner, C Hättig - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
This work employs the correlated wavefunction-based methods ADC (2) and CC2 in
combination with the implicit solvent model COSMO to calculate the UV/Vis absorption and …
combination with the implicit solvent model COSMO to calculate the UV/Vis absorption and …
Structural origin and vibrational fingerprints of the ultrafast excited state proton transfer of the pyranine-acetate complex in aqueous solution
MG Chiariello, G Donati, U Raucci… - The Journal of …, 2021 - ACS Publications
The excited state proton transfer (ESPT) reaction from the photoacid 8-hydroxypyrene-1, 3, 6-
trisulfonic acid (HPTS or pyranine) to an acetate molecule has been investigated in explicit …
trisulfonic acid (HPTS or pyranine) to an acetate molecule has been investigated in explicit …
Theoretical Study on the Photoacidity of Hydroxypyrene Derivatives in DMSO Using ADC (2) and CC2
N Sülzner, C Hättig - The Journal of Physical Chemistry A, 2022 - ACS Publications
This work applies the thermodynamic Förster cycle to theoretically investigate the p K a*,
ie, excited-state p K a values of pyranine-derived superphotoacids developed by Jung and …
ie, excited-state p K a values of pyranine-derived superphotoacids developed by Jung and …
Temperature Effects and Activation Barriers in Aqueous Proton-Uptake Reactions
B Antalicz, HJ Bakker - JACS Au, 2024 - ACS Publications
Aqueous proton transfer reactions are fundamental in biology and chemistry, yet kinetics
and mechanisms of strong base–weak acid reactions are not well understood. In this work …
and mechanisms of strong base–weak acid reactions are not well understood. In this work …
Excited-State Proton Transfer from Embedded Photoacids to Silanols on Mesostructured Surfaces: Role of Structural Heterogeneity
Y Sha, Z Guo, Y Han, Z Xue, M Li, Y Wan… - The Journal of …, 2023 - ACS Publications
As a common process in nature, excited-state proton transfer (ESPT) is becoming
increasingly attractive due to its wide applications in smart sensors and materials …
increasingly attractive due to its wide applications in smart sensors and materials …
Solvent‐Controlled Intermolecular Proton‐Transfer Follows an Irreversible Eigen‐Weller Model from fs to ns
A Grandjean, JL Pérez Lustres, G Jung - ChemPhotoChem, 2021 - Wiley Online Library
Abstract Intermolecular Proton Transfer (PT) dynamics can be best studied by optical
spectroscopy, which can cover the vast timescale spanned by the process. PT in a hydrogen …
spectroscopy, which can cover the vast timescale spanned by the process. PT in a hydrogen …
Anomalous proton transfer of a photoacid HPTS in nonaqueous reverse micelles
The proton transfer reaction is one of the fundamental chemical reactions where the reaction
dynamics strongly depend on solvent properties such as acidity or basicity. A photoacid 8 …
dynamics strongly depend on solvent properties such as acidity or basicity. A photoacid 8 …
Capturing an Eigen complex in an acid-base reaction shows step-resolved molecularity
Summary In the Eigen-Weller framework, acid-base reactions are described as those
consisting of serial steps. The steps include the encounter of acid and base compounds …
consisting of serial steps. The steps include the encounter of acid and base compounds …