Building upon the preceding section, this section focusses on the characterisation of interactions using LMO-EDA, NBO, and QTAIM analyses. Regarding the results obtained from the LMO-EDA analysis, it is evident that in the charged system scenario, the electrostatic term makes the most significant contribution to the total energy (Figure ), which aligns with the expected dominance of Coulombic interactions in charged systems. However, even though the distances are not much larger, in most of the systems studied, the electrostatic term is lower compared to that found for ionic salts, similar to that found within the quaternary ammonium salts, N(CF 3 ) 4 -X. However, it becomes apparent that iminium/imine systems, attractive terms, polarisation, exchange and dispersion have increased significantly as a result of the establishment of HBs upon complexation (almost -200 kcal/mol).