A multidisciplinary study of chemico-physical properties of different classes of 2-aryl-5(or 6)-nitrobenzimidazoles: NMR, electrochemical behavior, ESR, and DFT calculations

Continuing in our researches on the syntheses, reactivity, pharmacological/biological activities of heterocyclic compounds containing one or more nitrogen atoms we have examined some chemico-physical properties (1H and 13C NMR, electrochemical behavior, ESR) three series 2-aryl-5(or 6)-nitrobenzimidazoles (1–3) variously substituted 2-aryl ring. The behavior nitro group benzimidazole ring has been studied by cyclic voltammetry. This allowed to point out both reversibility, formal potential, number electrons involved processes, evaluate effect substituents present aryl data collected able furnish a complete picture electronic distribution supported DFT calculations.