The similar interaction energies of imidazole and acetate, especially in tetrahedral compounds, are remarkable since imidazole is a neutral ligand and acetate is a negatively charged one. This behavior suggests the importance of dative covalent interactions from imidazole ligands to Zn(II), which can partially balance the more favourable electrostatics of acetates. The relatively soft nature of Zn(II) may favour these dative covalent donation compensations and explain the propensity for Zn(II)-imidazole interactions. To get more insight into the specific features of Zn(II)-ligand interactions and their difference between imidazole and acetates, we have performed additional analysis to characterize the covalent and electrostatic interactions between the metal and the ligands.