The distances from the center of mass of the cation and DMC grow exponentially depending on ε HOMO and inversely exponentially depending on ε LUMO (Figure ). Only PyMe + and EMI + drop out of the r 0 (ε LUMO ) dependence, with the predicted r 0 values tending to be almost 1 Å lower than the calculated r 0 ones. The strongest binding to DMC is observed for the alkali metal cations, while the weakest interaction is registered for TEA + and EMPyr + .