Structure of the aqueous electron
文献信息
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 cavity or excluded volume in the structure of liquid water, with a characteristic absorption spectrum ascribable to s → p excitations of a particle in a quasi-spherical box. This traditional picture has been questioned over the past few years, however, on the basis of a one-electron pseudopotential model that predicts a more delocalized spin density and no distinct cavity. This Perspective reviews the known experimental properties of e−(aq) along with attempts to reproduce and understand them using both one-electron models and many-electron quantum chemistry calculations. The overwhelming weight of the evidence continues to support the conventional excluded-volume picture of the aqueous electron.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.


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