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Updated: Dec 26, 2025

Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures
Published on: December 1, 2020
Visualizing the Geometry of Hydrogen Dimers
Arnab Khan1, Till Jahnke1, Stefan Zeller1
1Institut für Kernphysik, Goethe-Universität, Max-von-Laue-Strasse 1, 60438 Frankfurt, Germany.
Abstract:
The simplest molecular dimer, H2-H2, poses a challenge to both experiment and theory as a system with a multidimensional energy surface that supports only a single weakly bound quantum state. Here, we provide a direct experimental image of the structure of hydrogen dimers [(H2)2, H2-D2, and (D2)2] obtained via femtosecond laser-induced Coulomb explosion imaging. Our results indicate that hydrogen dimers are not restricted to a particular geometry but rather occur as a mixture of all possible configurations. The measured intermolecular distance distributions were used to deduce the isotropic intermolecular potential as well as the binding energies of the dimers.
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