Table 8.
Frequency of the Al–F bond vibration in the PES local minima (v, cm−1); the activation barriers (, kcal mol−1) and life times of and (, ps)#.
| Cation | (i) |
(ii) |
||||
|---|---|---|---|---|---|---|
| v | v | |||||
| Li+ Figs. 5a, 6a | 425 (158) | 2.96 (5.78) | 0.01(→) 0.1) | 205 (115) | 2.42 (15.55) | 0.013–0.016(→) 5–20 (←) |
| Na+[18] | 236 (122) | 6.76 (2.87) | 0.06–0.08(→) 0.03 (←) | 483 (110) | 3.35 (12.36) | 0.01 (→) 1.1–2.1(←) |
| K+ Figs. 5b, 6b | 187 (124) | 7.78 (0.98) | 0.12–0.2(→) 0.012–0.013(←) | 504 (102) | 5.79 (9.06) | 0.02–0.03(→) 0.4–0.7(←) |
Calculated data characterizing the reverse model processes (i) and (ii) are given in parentheses; arrows indicate direct and reverse processes.