SYMMETRY OF A FREE-ENERGY CURVE IN POLAR SOLUTION

Two kinds of symmetry causing a symmetric shape of the free energy cur ve are presented in a Hamiltonian of a neutral reactant state for Pola r solution. They are the symmetry for inversion of solvent molecules a nd a reactant molecule. In addition, the deviation from the symmetry i s formulated using a perturbation method. The antisymmetric part of th e free energy curve is expressed by the symmetric part using a thermal average of the deviation in the Hamiltonian and the reaction coordina te.