Table 2. Forward and Backward Phenomenological Barriers (kJ·mol–1) for the Para Protonation of Ethylbenzene in the Presence of Various Amounts of Water in the Unit Cell.
no. of water/unit cell | ||||
---|---|---|---|---|
0 H2O | 1 H2O | 3 H2O | 6 H2O | |
ΔF⧧f | 76 ± 2 | 62 ± 3 | 68 ± 2 | 72 ± 2 |
ΔF⧧b | 18 ± 2 | 18 ± 3 | 11 ± 2 | 14 ± 2 |