While R6 and B6 occur in equal proportions, we note that R6 may be stabilized by the interaction with other compounds, as already noted for the interaction of Li 4 Cl 4 with MgCl 2 . Further decomposition of the LiCl cluster leads to an ensemble of bicyclic and bridged structures with different THF coordination states, namely R7 and R8 and in a 8:1 ratio. These bicyclic species resemble LiCl structures observed in some crystal structures. Further down the solvation pathway, the degraded tetramer dissociates into a hexagonal and a monomeric unit, subsequently releasing another monomer into a mixture of lower molecular weight species. This corresponds to regions about 8-10 kcal mol -1 higher in energy, confirming the preference of LiCl for tetrameric clusters in solution compared to smaller aggregates.