Experimental and theoretical study on the interaction of dopamine hydrochloride with H2O

Abstract

The interactions of dopamine hydrochloride (DH) with H2O were investigated by cyclic voltammetry (CV), density functional theory (DFT), atoms in molecules (AIM) analysis and 1H nuclear magnetic resonance (1H NMR). Changes in the anodic and cathodic peak potentials of DH in H2O indicated that there is not only the formation of hydrogen bonding between DH and H2O but also the formation of π–π stacking of benzene ring of DH. The DFT and AIM results confirmed the hydrogen bonding between DH and H2O, while the 1H NMR results demonstrated the existence of π–π stacking of DH molecules in aqueous solution.