Table 2.

The average calculated free energies of key states.^a

Energies	$\mathrm{\Delta }\mathrm{\Delta }{G}_{\mathit{sol}}^{w\to \mathbf{1}}\left(S\right)$	$\mathrm{\Delta }\mathrm{\Delta }{G}_{\mathit{sol}}^{w\to \mathbf{1}}\left(H_3{O}^{+}S\right)$	$\mathrm{\Delta }\mathrm{\Delta }{G}_{\mathit{sol}}^{w\to \mathbf{1}}\left(H_{2}O{\left({SH}^{+}\right)}^{\ne }\right)$	${\left(\mathrm{\Delta }{g}_{\mathit{cat}}^{\ne }\right)}_{\mathit{eff}}-\mathrm{\Delta }{g}_{H^{+}}^{\ne }$
System
H3O+	−10.0	-	-	-
triethyl orthoformate	-	−14.0 ± 3	−8.0 ± 3	−5.0± 3
triisopropyl orthoformate	-	−9.0 ± 3	−10.0 ± 3	−7.0± 3

^aEnergies in kcal/mol.