CG Teaching materials based on quantum chemical calculation for basic chemistry — An approach to the electronic textbook of basic chemistry linking chemical experiments

摘要

Change in the molecular configuration of transition states after the π-complex in benzene nitration made visible from the semi-empirical molecular orbital calculation. CG 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 combine with chemical experiments of student's lab used tablet PC for the purpose of making electronic textbook of basic chemistry, which integrates the observable level experiment and the molecular world.