The present investigation was primarily conducted in the gas phase to focus on the characterisation of the nature of the diverse interactions inherent within ionic compounds. Nonetheless, for the purpose of achieving a comprehensive evaluation, a supplementary investigation involving solvents was undertaken, as illustrated in Table . As anticipated, the calculated interaction energies exhibited a substantial reduction across all the solvents examined, with particularly pronounced effects observed in the case of dimethyl sulfoxide (DMSO) and water, across all complexes studied. When the changes in intermolecular distances between both charged atoms, Na + and X -atoms, caused by solvation were examined, it was observed that the separation between cations and anions augmented uniformly in all cases, aligning with theoretical expectations. Furthermore, as the distance increased, the interaction energy presented upon complexation weakened.