Table 2. Reaction Energies (ΔEr in eV) and Gibbs Free Reaction Energies (ΔG298r in eV) Predicted for the Fragmentation Processes of the (ScnF3n+1)− Anions (n = 2–4) at T = 298.15 K.
| fragmentation path | ΔEr | ΔG298r |
|---|---|---|
| (Sc2F7)− → (ScF4)− + ScF3 | 2.34 | 1.95 |
| (Sc2F7)− → Sc2F4 + F– | 4.57 | 4.29 |
| (Sc3F10)− → (Sc2F7)− + ScF3 | 3.03 | 2.25 |
| (Sc3F10)− → Sc3F9 + F– | 5.60 | 5.03 |
| (Sc4F13)− → (Sc3F10)− + ScF3 | 3.41 | 2.59 |
| (Sc4F13)− → Sc4F12 + F– | 4.70 | 4.26 |