Development of Teaching Material in Tablet PC for Experiment of Nitration of Benzene Based on Computer Graphics by Quantum Chemical Calculation

Abstract

The change in the structure of reactants about the transition state after the π -complex in nitration of benzene was visualized by CG based on the semi -empirical molecular orbital calculation. Teaching material could demonstrate the structural change of reactants with both space filling and ball -and-stick models along with the reaction profile, which can provide image of energy change during the reaction. The teaching material was tried to integrate with an electronic textbook of chemical experiment for the student’s laboratory.