The nature of the intermolecular interactions was explored using the Atoms in Molecules (AIM) analysis, which allows classifying the interaction by the electron density at the bond critical-point (ρBCP) of the intermolecular interactions. Under this scope, covalent bonds, coordinate covalent bond/highly polarized interactions, and weak electrostatic interactions are commonly characterized by ρBCP in the range of ~0.50 -0.10, 0.10 -0.04, and ≤ 0.01 e/Bohr 3 , respectively. Besides, the reduced gradient method was employed based on the Independent Gradient Model (IGM), which allows differentiation of the intermolecular and intramolecular interactions . The AIM and IGM analyses were carried out using the wavefunction analyzer Multiwfn3.7 program .