Study of electric field-enhanced catalysis

The effect of equi-weight electrostatic field on transesterification of MeC OOBu with EtOH in the presence of base catalyst in liquid phase was investi gated. The conversion of forward reaction and backward reaction was slightl y enhanced in the equi-weight field (E = 1 X 10(5) V/m). SCC-DV-X, calculat ions showed that the HOMO energy level of CH2O was decreased by about 9.6 e V in H+ field, while increased by about 23.7 eV in O2- field. It is conclud ed that the activation energy of the reaction in equi-weight electrostatic field is almost the same as in free field, owing to the same potential ener gy change of the reactants, transition states and products. In the unequi-w eight electrostatic field, the negative charge center seems to be the activ e site for reactants or products, while the positive one seems to be the ac tive site for transition states, resulting in great decrease in the activat ion energy.