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 …
Water-based combifuge ink with unique tamper-evident features for anti-counterfeiting applications
K Muthamma, K Nair, D Sunil, SD Kulkarni… - Journal of Molecular …, 2022 - Elsevier
Unique characteristics of pigments in printing inks are essential in achieving multi-level
security features in genuine articles to combat counterfeiting. This study reports the …
security features in genuine articles to combat counterfeiting. This study reports the …
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 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 …
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 …
Reliable experimental method for determination of photoacidity revealed by quantum chemical calculations
Photoacids are aromatic acids that exhibit significantly different acidities when they are
electronically excited. Three experimental methods have been extensively used to …
electronically excited. Three experimental methods have been extensively used to …
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 …