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 …

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 …

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 …

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 …

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 …

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 …

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 …

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 …

Anomalous proton transfer of a photoacid HPTS in nonaqueous reverse micelles

T Jang, S Lee, Y Pang - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
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 …

Capturing an Eigen complex in an acid-base reaction shows step-resolved molecularity

SH Lee, YJ Choi, YJ Kim, JM Kee, OH Kwon - Cell Reports Physical …, 2024 - cell.com
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 …