Spectroscopy and dynamics of the hydrated electron at the water/air interface
CJC Jordan, MP Coons, JM Herbert… - nature …, 2024 - nature.com
The hydrated electron, e–(aq), has attracted much attention as a central species in radiation
chemistry. However, much less is known about e–(aq) at the water/air surface, despite its …
chemistry. However, much less is known about e–(aq) at the water/air surface, despite its …
[HTML][HTML] Dynamics of the charge transfer to solvent process in aqueous iodide
Charge-transfer-to-solvent states in aqueous halides are ideal systems for studying the
electron-transfer dynamics to the solvent involving a complex interplay between electronic …
electron-transfer dynamics to the solvent involving a complex interplay between electronic …
Green and efficient delivery of pesticides throughout their life cycle via cooperative solid and solution self-assembly
Y **ao, C Wu, S Feng, M Chen, H Cao, K Chen… - Chemical Engineering …, 2023 - Elsevier
Addressing the economic and environmental challenges posed by non-target losses
throughout the pesticide life cycle necessitates a simple, yet effective strategy. In this work, a …
throughout the pesticide life cycle necessitates a simple, yet effective strategy. In this work, a …
Roles of H-Bonding and Hydride Solvation in the Reaction of Hydrated (Di)electrons with Water to Create H2 and OH–
WR Borrelli, JL Guardado Sandoval… - Journal of Chemical …, 2024 - ACS Publications
Even though single hydrated electrons (e hyd–'s) are stable in liquid water, two hydrated
electrons can bimolecularly react with water to create H2 and hydroxide: e hyd–+ e hyd–+ …
electrons can bimolecularly react with water to create H2 and hydroxide: e hyd–+ e hyd–+ …
Birth of the hydrated electron via charge-transfer-to-solvent excitation of aqueous iodide
A primary means to generate hydrated electrons in laboratory experiments is excitation to
the charge-transfer-to-solvent (CTTS) state of a solute such as I–(aq), but this initial step in …
the charge-transfer-to-solvent (CTTS) state of a solute such as I–(aq), but this initial step in …
Empirically Optimized One-Electron Pseudopotential for the Hydrated Electron: A Proof-of-Concept Study
P Neupane, DM Bartels… - The Journal of Physical …, 2023 - ACS Publications
Mixed quantum-classical molecular dynamics simulations have been important tools for
studying the hydrated electron. They generally use a one-electron pseudopotential to …
studying the hydrated electron. They generally use a one-electron pseudopotential to …
Investigation of the failure of Marcus theory for hydrated electron reactions
Reactions of the hydrated electron with a wide variety of substrates have been found to
exhibit unusually similar activation energies in a manner incompatible with Marcus electron …
exhibit unusually similar activation energies in a manner incompatible with Marcus electron …
Self-interaction and transport of solvated electrons in molten salts
The dynamics of (few) electrons dissolved in an ionic fluid—as when a small amount of
metal is added to a solution while upholding its electronic insulation—manifests interesting …
metal is added to a solution while upholding its electronic insulation—manifests interesting …
How to Probe Hydrated Dielectrons Experimentally: Ab Initio Simulations of the Absorption Spectra of Aqueous Dielectrons, Electron Pairs, and Hydride
In the radiation chemistry of water, two hydrated electrons (e hyd−) can react to form H2 and
OH–. Experiments and simulations suggest that this reaction occurs through a mechanism …
OH–. Experiments and simulations suggest that this reaction occurs through a mechanism …
Competitive ion pairing and the role of anions in the behavior of hydrated electrons in electrolytes
Experiments have shown that in the presence of electrolytes, the hydrated electron's
absorption spectrum experiences a blue shift whose magnitude depends on both the salt …
absorption spectrum experiences a blue shift whose magnitude depends on both the salt …