Nuclear coordinates for electron transfer

Nuclear coordinates for electron transfer

Author(s): Adam Šrut

Publication: Bunsen-Magazin 2026, 4, 87-89

Publisher: Deutsche Bunsen-Gesellschaft für physikalische Chemie e.V., Frankfurt

Language: English

DOI: 10.26125/azs5-rz71

Abstract: Mixed-valent compounds provide an inexhaustible playground for studying electron transfer. We uncovered the exact nuclear movement that leads to the electron transfer event in mixed-valent systems and thus was able to recover the conceptual Marcus–Hush model of electron transfer from first principles. Many new insight into electron transfer were obtained. For example, heavy-atom tunneling might play an important role, or electron transfer occurs at multiple rates.

Cite this:  A. Šrut, Bunsen-Magazin 2026, 4, 87-89, DOI: 10.26125/azs5-rz71

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