Skip to main content
. 2021 Jun 22;12(29):10005–10013. doi: 10.1039/d1sc01652k

Fig. 2. One-dimensional cuts of the PESs of the three 2A′ states of the [NH3Rg]+ complexes relevant to the charge transfer process, as a function of the distance R between the Rg+ ion and the centre of mass of NH3. Solid lines correspond to the ground state PESs dissociating into NH3+ + Rg(2S); dashed and dotted lines correspond to the excited state PESs dissociating into NH3 + Rg+(2P). The zero of energy is set at the entrance channel, NH3 + Rg+(2P). The angles are θ = π and ϕ = 0, corresponding to the Rg+ ion approaching the N atom of NH3 along the C3 axis. The umbrella angle is fixed to the equilibrium value of NH3, ρ = 112°.

Fig. 2