Skip to main content
. 2013 Feb 1;412:22–29. doi: 10.1016/j.chemphys.2012.11.006

Table 8.

Frequency of the Al–F bond vibration in the PES local minima (v, cm−1); the activation barriers (ΔEa, kcal mol−1) and life times of AlF63- and AlF52- (τL, ps)#.

Cation (i) AlF63-AlF52-+F-
(ii) AlF52-AlF4-+F-
v ΔEa τL v ΔEa τL
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.