Ultrafast elementary photochemical processes of organic molecules in liquid solution
T Kumpulainen, B Lang, A Rosspeintner… - Chemical …, 2017 - ACS Publications
Ultrafast photochemical reactions in liquids occur on similar or shorter time scales compared
to the equilibration of the optically populated excited state. This equilibration involves the …
to the equilibration of the optically populated excited state. This equilibration involves the …
[HTML][HTML] Proton transfer reactions: from photochemistry to biochemistry and bioenergetics
AP Demchenko - BBA advances, 2023 - Elsevier
The present Review is an attempt by projecting the basic knowledge on photochemical
proton transfer to achieve consistent understanding of proton motions in biocatalysis …
proton transfer to achieve consistent understanding of proton motions in biocatalysis …
Accelerating the shuttling in hydrogen-bonded rotaxanes: active role of the axle and the end station
T Kumpulainen, MR Panman, BH Bakker… - Journal of the …, 2019 - ACS Publications
The relation between the chemical structure and the mechanical behavior of molecular
machines is of paramount importance for a rational design of superior nanomachines. Here …
machines is of paramount importance for a rational design of superior nanomachines. Here …
Influence of solvent relaxation on ultrafast excited-state proton transfer to solvent
T Kumpulainen, A Rosspeintner… - The journal of …, 2017 - ACS Publications
A thorough understanding of the microscopic mechanism of excited-state proton transfer
(ESPT) and the influence of the solvent environment on its dynamics are of great …
(ESPT) and the influence of the solvent environment on its dynamics are of great …
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 …
Broadband fluorescence reveals mechanistic differences in excited-state proton transfer to protic and aprotic solvents
Excited-state proton transfer (ESPT) to solvent is often explained according to the two-step
Eigen–Weller model including a contact ion pair (CIP*) as an intermediate, but general …
Eigen–Weller model including a contact ion pair (CIP*) as an intermediate, but general …
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 …
Excited‐State Proton Transfer Dynamics of a Super‐Photoacid in Acetone‐Water Mixtures
N Sülzner, B Geissler, A Grandjean, G Jung… - …, 2022 - Wiley Online Library
Super‐photoacids, that is, photoacids with a negative value in the electronically excited
state, can trigger an excited‐state proton transfer (ESPT) to the solvent. For the neutral …
state, can trigger an excited‐state proton transfer (ESPT) to the solvent. For the neutral …
Solvatochromism of 1-naphthol-4-sulfonate photoacid and its encapsulation in cyclodextrin derivatives
Photophysical properties of the ground and excited states of 1-naphthol-4-sulfonate
(1NO4S), photoacid, are investigated in different solvents and cyclodextrin derivatives of …
(1NO4S), photoacid, are investigated in different solvents and cyclodextrin derivatives of …
Steady-state spectroscopy to single out the contact ion pair in excited-state proton transfer
A Grandjean, JL Pérez Lustres, S Muth… - The Journal of …, 2021 - ACS Publications
Despite the outstanding relevance of proton transfer reactions, investigations of the solvent
dependence on the elementary step are scarce. We present here a probe system of a …
dependence on the elementary step are scarce. We present here a probe system of a …