peroxyacids

The optimal geometric structure and reactivity of some peroxyacids, acridine and products of their interaction were calculated by quantum-chemical methods. It was found that the heat of formation of peroxyacids (PA) and carboxylic acids (CA) grow with increasing length of a hydrocarbon radical. The dependencies of the area of PA and molecules of CA on the number of carbon atoms in the molecules are linear. The potentials of ionization of all studied PA are close and lie within the range of 11.22–11.39 eV depending on the calculation methods.