Abstract
The Electron nuclear dynamics theory is used to study various processes involving the disintegration of an H 3 unit from an initial state of equilateral geometry that is associated with a degeneracy of the electronic system. The electronic wavefunction is initially defined as representation of either of the D 3h doublet components; the corresponding dynamical features are considered in terms of nuclear trajectories for both cases. Disintegration out of a rotating state is shown to yield periodic electronic spin exchange between two bonding H atoms, which is interpreted as a signature of non-adiabatic behavior. Possible applications of this phenomenon in the study of molecular dissociation are discussed.
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