Fig. 5
From: Non-ergodic dissociative valence double ionization of SF6
Potential energies for the dissociation of singlet \(\hbox {SF}_6^{2+}\), calculated at the B3LYP/6-311+G(d) level of theory with zero-point energy (ZPE) corrections. The energies are given in eV relative to neutral SF6. The energy landscape of the dissociation processes is illustrated, highlighting transition states in blue and intermediates in black along the reaction pathways. Dashed lines indicate barrierless transitions, while dotted lines connect transition states to exit channels with higher energies due to different charge localization.
