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. 2024 Mar 22;14(14):9668–9677. doi: 10.1039/d4ra00950a

Reaction steps to form mono-nuclear, bi-nuclear, and tri-nuclear complexes in DME solutions.

No. Equation ΔG (eV) ΔGper DME
R1 MgCl2 + 2DME = MgCl2(DME)2 −8.62 −4.31
R2 Mg2+ + MgCl2(DME)2 + 2DME = [Mg2(μ-Cl)2(DME)4]2+ 3.95 0.99
R3 MgCl2 + [Mg2(μ-Cl)2(DME)4]2+ + DME = [Mg3(μ-Cl)4(DME)5]2+ 0.46 0.09
R4 Mg2+ + MgCl2 + 4DME = [Mg2(μ-Cl)2(DME)4]2+ −4.67 −1.17
R5 Mg2+ + 2MgCl2 + 5DME = [Mg3(μ-Cl)4(DME)5]2+ −4.21 −0.84