Theoretical calculations with some 4,4?- Oxybis (N-Benzylydeaniline) derivative compounds

In this study, thermodynamic properties of some 4,4?-oxybis(N-Benzylydeaniline) derivaties, synthesized by us, were calculated theoretically using AM1, PM3 and PM6 semi-empirical methods.Gibbs free energy change (?Gf, ?G), the kinetic acidity constants, (pKa(k)), and thermodynamic acidity constants, (pKa(t)) were calculated in aqueous and DMF phase by using their heat of formation (?Hf), enthalpy (?H) and the entropy change (?S) values. Nucleophilic properties (?) and proton affinities (PA) were calculated using by (HOMO) and LUMO values of similied molecules.The result of calculations made to the product and the reaction of the resolve and synthesized Schiff sequence this is the more stable thermodynamic studies of molecules.