For the (PA) 1 (Cl -) 1 (w) 3-4 clusters, the C-C bond is rotated such that PA is effectively a superposition between the Tc and Cc conformers. Finally, in the (PA) 1 (Cl -) 1 (w) 5 cluster, we observe the Tt conformer to be the preferred PA conformer. Here, we observe the water molecules to have formed a hydrogen bonding network encapsulating the Cl -thus screening Cl -from forming hydrogen bonds with the carboxylic O-H.