The dual use of the pyranine (HPTS) fluorescent probe: A ground-state pH indicator and an excited-state proton transfer probe
R Nandi, N Amdursky - Accounts of Chemical Research, 2022 - ACS Publications
Conspectus Molecular fluorescent probes are an essential experimental tool in many fields,
ranging from biology to chemistry and materials science, to study the localization and other …
ranging from biology to chemistry and materials science, to study the localization and other …
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 …
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 …
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 …
Theoretical insights into ultrafast excited state proton transfer coupled with twisted intramolecular charge transfer mechanism in 7-(2ʹ-pyridyl) indole: Effect of …
R Salaeh, R Daengngern - Journal of Molecular Liquids, 2023 - Elsevier
The ultrafast proton transfer (PT) process in the excited state of 7-(2′-pyridyl) indole
(abbreviated as 7PyIn) has been elucidated by on-the-fly dynamics simulations using the …
(abbreviated as 7PyIn) has been elucidated by on-the-fly dynamics simulations using the …
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 …
[HTML][HTML] Ultrafast intramolecular proton transfer reactions and solvation dynamics of DMSO
M Jen, K Jeon, S Lee, S Hwang, W Chung… - Structural Dynamics, 2019 - pubs.aip.org
Ultrafast intramolecular proton transfers of 1, 2-dihydroxyanthraquinone (alizarin-h 2) and its
deuterated product (alizarin-d 2) in dimethyl sulfoxide (DMSO) have been investigated by …
deuterated product (alizarin-d 2) in dimethyl sulfoxide (DMSO) have been investigated by …
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 intramolecular proton transfer dynamics for triplet harvesting in organic molecules
Thermally activated delayed fluorescence (TADF) has shown great potential as a
mechanism for harvesting low-lying triplet excited states in organic molecules and is …
mechanism for harvesting low-lying triplet excited states in organic molecules and is …