Theoretical studies on the interaction of some endohedral fullerenes {[X@C60]− (X = F−, Cl−, Br−) or [M@C60] (M = Li, Na, K)} with [Al(H2O)6]3+ and [Mg(H2O)6]2+ cations

The results of present work indicate that the encapsulated alkaline atom slightly, and halide anion significantly increases the reaction/interaction of the fullerene surface with [Al(H2O)6]3+ and [Mg(H2O)6]2+ cations.80