The charge distribution of the monomers varies as they transition from neutral to charged states. Both the N and H atoms in the methyl group exhibit an increase in positive charge. Upon complexation, a similar trend is observed for both neutral and charged compounds. However, this trend is more pronounced in complexes based on ammonium. The charge on the central N atom remains constant, whereas the charge on the C1 atom experiences a significant decrease, becoming more negative in all cases, due to the interaction with the anion. In the case of the R=CH 3 substituent, C1, C2, and C3 are interacting with the anion and so their charges become slightly more negative.