Visualizing the Geometry of Hydrogen Dimers

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.