OPTO-ELECTRONICS AND NONLINEAR OPTICAL PROPERTIES OF ISOINDOLINE-1,3-DIONE-FULLERENE20-ISOINDOLINE-1,3-DIONE USING DENSITY FUNCTIONAL THEORY

Linear and nonlinear properties of isoindoline-1,3-dione-fullerene-isoindoline-1,3-dione with the five phases were studied. The geometries combination attained using density functional theory DFT/B3LYP/6-31G+(d,p). calculated are static polarizability, anisotropy polarizability first hyperpolarizability at equilibrium geometry. In this article, theoretical design NLO molecules is discussed. results show that there a good electronic transfer within molecule, have reasonably propensity for optical activity.