# Tracking the Complex Dynamics of Electron-Transfer-Mediated Decay in Real Space and Time

**Authors:** Florian Trinter, Jaroslav Hofierka, Jonas Rist, Max Kircher, Miriam Weller, Niklas Melzer, Dimitrios Tsitsonis, Angelina Geyer, Jan Kruse, Gregor Kastirke, Joshua B. Williams, Tsveta Miteva, Reinhard Dörner, Markus S. Schöffler, Maksim Kunitski, Nicolas Sisourat, Lorenz S. Cederbaum, Till Jahnke

PMC · DOI: 10.1021/jacs.5c15510 · Journal of the American Chemical Society · 2026-01-22

## TL;DR

This paper studies how excited atoms or molecules decay in a chemical environment by transferring electrons, revealing how molecular geometry and atomic movement influence the process.

## Contribution

The study provides a combined experimental and theoretical analysis of electron-transfer-mediated decay in a triatomic system, revealing real-space and time dynamics.

## Key findings

- Certain molecular geometries are favored for electron-transfer-mediated decay depending on the decay time.
- Atoms in the trimer exhibit a roaming-like behavior before decay.
- The combined approach enables tracing real-space properties of the decaying system over time.

## Abstract

When an electronically excited atom or molecule is embedded
in
a chemical environment as, e.g., in a liquid or a loosely bound cluster,
it can de-excite through mechanisms where neighboring atoms or molecules
are actively participating in the decay: either by donating or accepting
energy or electrons. For such nonlocal decay channels,
nuclear dynamics play a crucial role as they have a direct impact
on the decay efficiency itself. Here, we present a detailed study
of the electron-transfer-mediated decay in a loosely bound triatomic
prototype system, combining experimental results from a 5-fold coincidence
measurement and theoretical modeling of the decay process. Depending
on the decay time, we find that certain classes of molecular geometries
are favored for this type of decay. Our findings provide an intuitive
picture of how electron-transfer-mediated decay proceeds. In particular,
our results confirm a roaming-like behavior of the atoms of the trimer
prior to its decay. Our combined theoretical and experimental approach
enables a comprehensive tracing of the real-space properties of the
decaying system in the time domain.

## Full-text entities

- **Diseases:** ETMD (MESH:D054069)
- **Chemicals:** carbon dioxide (MESH:D002245), Ne (MESH:D009356), water (MESH:D014867), carbon (MESH:D002244), Kr (MESH:D007726), ETMD (-)

## Full text

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## Figures

6 figures with captions in the complete paper: https://tomesphere.com/paper/PMC12879743/full.md

## References

57 references — full list in the complete paper: https://tomesphere.com/paper/PMC12879743/full.md

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Source: https://tomesphere.com/paper/PMC12879743