In the subsequent phase of our study, we examined more realistic systems in which the theoretical establishment of HBs is hindered due to the presence of four substituents bonded to the nitrogen atom and the absence of any strong HB-donor (Figure ). These quaternary ammonium salts and their neutral counterparts serve as representative examples for exploring alternative modes of interaction in the absence of direct strong hydrogen bonding. The interaction energy values for both the cationic and neutral scenarios are compiled in Tables and. Consistent with expected behaviour, charged species exhibit significantly higher values ∆E compared to their neutral counterparts, highlighting that the introduction of positive charges enhances the strength of interactions within these systems. Furthermore, charged systems consistently exhibit interaction energies lower than those of pure ionic compounds, and the separation distance between the positively charged ion N + and the negatively charged ion X -varied between 3.35 and 4.50 Å, exhibiting the greatest distances observed amongst the various complexes investigated in this study.