Experimental and theoretical prediction of the redox potentials of noradrenaline and its supramolecular complex with glycine

详细

The redox reaction of N-protonated noradrenalin (NA) is a two-proton-two-electron reaction in aqueous solution. NA can be oxidated to N-protonated noradrenalin quinone (NAquinone). The standard electrode potential (E⁰) value of NA/NAquinone couples is obtained experimentally with cyclic voltammetry (CV) and theoretically with two methods at B3LYP/6-311++G(d, p) level. The theoretical E⁰ value of NA/NAquinone couples is in good agreement with experimental ones and close to each other. Glycine (Gly) can form hydrogen bonds with NA in physiological environment. The E⁰ values of NA–Gly/NAquinone–Gly couples are predicted experimentally and theoretically. Hydrogen bond interaction weakens the electrondonation abilities of NA.