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. 2022 Dec 30;23(1):399. doi: 10.3390/s23010399

Table 2.

Gibbs energies for the complex formation reactions with hydrated Hg2+ and Mg2+ cations in the gas phase (ΔG1) and in water environment (ΔG78), in kcal mol−1.

Reaction ΔG1 ΔG78
2TAT + [Hg(H2O)6]2+ → TAT@ [Hg(H2O)4]2+@TAT + 2H2O −44.1 −13.6
2TAT + [Mg(H2O)6]2+ → TAT@ [Mg(H2O)4]2+@TAT + 2H2O −22.9 11.9