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This study analyzes the relationship that presents 11 aromatic compounds with heterocyclic Schiff bases and substituted in position meta and para with antioxidant activity, using the method UB3LYP/6-311G(d,p) within density functional theory. We determine the parameters: bond dissociation enthalpy (BDE), ionization potential (IP), protons dissociation enthalpy (PDE), affinity of protons (PA), electrons transfer enthalpy (ETE) and radical stabilization energy (RSE), all in gaseous phase. The results show that electrodonors substituents increases BDE when they are in position para, IP in position meta and para and ETE in position para. In addition, the electroatractors cause an increase in PDE and PA at position meta and para. a Universidad Nacional Federico Villarreal, Facultad de Ciencias Naturales y Matemática, Laboratorio de Química Teórica, Jr. Chepén s/n (El Agustino) Perú.* rpumachagua@gmail.com Estudio teórico de la actividad antioxidante de compuestos aromáticos con bases de schiff heterocíclicas... 243 Rev Soc Quím Perú. 85(2) 2019

ESTUDIO TEÓRICO DE LA ACTIVIDAD ANTIOXIDANTE DE COMPUESTOS AROMÁTICOS CON BASES DE SCHIFF HETEROCÍCLICAS SUSTITUIDOS EN POSICIONES META Y PARA