Structure of the aqueous electron

JM Herbert - Physical Chemistry Chemical Physics, 2019 - pubs.rsc.org
Recently there has been a revival of interest in the basic structure of the aqueous or
“hydrated” electron, e−(aq). According to the conventional picture, this species occupies a …

[HTML][HTML] Analytic gradient for the QM/MM-Ewald method using charges derived from the electrostatic potential: Theory, implementation, and application to ab initio …

ZC Holden, B Rana, JM Herbert - The Journal of Chemical Physics, 2019 - pubs.aip.org
We report an implementation of periodic boundary conditions for mixed quantum
mechanics/molecular mechanics (QM/MM) simulations, in which atomic partial charges are …

Transient evolution of quasifree electrons of plasma in liquid water revealed by optical-pump terahertz-probe spectroscopy

Y Tan, H Zhao, R Zhang, Y Zhao, C Zhang… - Advanced …, 2021 - spiedigitallibrary.org
The fundamental properties of laser-induced plasma in liquid water, such as the ultrafast
electron migration and solvation, have not yet been clarified. We use 1650-nm femtosecond …

Electron solvation in liquid ammonia: lithium, sodium, magnesium, and calcium as electron sources

VV Chaban, OV Prezhdo - The Journal of Physical Chemistry B, 2016 - ACS Publications
A free electron in solution, known as a solvated electron, is the smallest possible anion.
Alkali and alkaline earth atoms serve as electron donors in solvents that mediate outer …

Ultrafast Geminate Recombination Facilitated by Hydrogen-Atom Transfer in Charge Transfer Reactions from Hydroxide and Methoxide Ions

Y Yamamoto, T Suzuki - The Journal of Physical Chemistry Letters, 2023 - ACS Publications
Previous transient absorption spectroscopy (TAS) hinted at an exceptionally rapid geminate
recombination process in charge transfer reactions involving OH–or OD–ions in liquid water …

Tuning Solvated Electrons by Polar–Nonpolar Oxide Heterostructure

Y Wang, H Guo, Q Zheng, WA Saidi… - The Journal of Physical …, 2018 - ACS Publications
Solvated electron states at the oxide/aqueous interface represent the lowest energy charge-
transfer pathways, thereby playing an important role in photocatalysis and electronic device …

Tracing the initial electron localization dynamics in ionized liquid water

M Woerle, R Kienberger, H Iglev - … Conference Laser Optics …, 2018 - ieeexplore.ieee.org
We used a novel phase-sensitive transient absorption spectroscopy with few-cycle pulses to
study the photoionization of liquid water. The phase changes elucidate the initial localization …