Resumen

RUIZ, Ronald; LEZAMA, Hélmer  y  PUMACHAGUA, Rodolfo. Theoretical study to the electronic properties in 4-x-1,2-benzoquinones substituted. Rev. Soc. Quím. Perú [online]. 2018, vol.84, n.3, pp.313-321. ISSN 1810-634X.

This paper discusses global descriptors such as hardness, electronegativity, nucleofilia and chemical potential and local reactivity indexes. We use the method of the density functional (DFT) to a level of calculation B3LYP/6-31G. With local reactivity indexes analyzed the nucleophile/electrophile character by the effect of substituents on the system 1,2-benzoquinone. With global descriptors of reactivity, we obtained acceptable correlations as well as the effect of substituents on the Uv-vis spectrum groups.

Palabras clave : Fukui index; benzoquinone; global descriptors; spectra Uv-visible.

        · resumen en Español     · texto en Español     · Español ( pdf )