. Author manuscript; available in PMC: 2008 Sep 3.

Published in final edited form as: J Phys Chem B. 2007 Jan 18;111(2):408–422. doi: 10.1021/jp065403l

TABLE 2.

Gas-Phase Free Energies of Formation (kcal/mol), Standard Reduction Potentials (Volts), and Conventional Solvation Free Energies (kcal/mol) of Halide Ions in Methanol

X⁻	Δ_fG₂₉₈^o[X⁻(g)]^a	Δ_fG₂₉₈^o[AgX(cr)]^b	E_c*^c	ΔG_S^*,con(X⁻)^d
Cl⁻	−56.4	−26.2	−0.0221	−334.8
Br⁻	−56.2	−23.2	−0.1507	−329.0
I⁻	−52.1	−15.8	−0.32987	−321.6

Free energy of formation obtained following the electron convention and Fermi-Dirac statistics for the electron integrated heat capacity and entropy,¹¹⁶ for a standard-state gas-phase pressure of 1 atm.

Experimental values were taken from ref 126, and adjusted to a standard-state gas-phase pressure 1 atm using the procedure described in the Supporting Information.

Standard reduction potential for a solution-phase concentration of 1 mol/L. Values were taken from reference ¹²⁷.

Based on the convention that ΔG_S^*,con(H⁺) = 0.