SUMMARY
The regularities of adsorption and oxidation of several aromatic and heterocyclic nitrogen- and oxygen-containing hydrocarbons from their aqueous solutions on lead (IV) oxide have been studied. Methods of chemical and molecular mechanics, as well as a correlation approach based on the comparison of adsorption equilibrium with the electronic properties of the adsorbate were used for evaluation. The energies of the occupied orbitals were used as parameters of the correlation between the electronic and adsorption properties of organic molecules. The marginally controlled adsorption mechanism is postulated to interpret the observed correlations for the specific adsorption of organic compounds on low-band PbO2. As a result of the study, it was found that organic compounds adsorbed or oxidized to lead (IV) oxide are quite selective. The observed effects cannot be explained by differences in chemical composition or, for example, in the degree of hydrophilicity of the test compound. It is established that the regularities of adsorption, oxidation and structural transformations of organic surfactants of compounds on lead oxide can be explained from the same point of view on the basis of orbital interactions of their boundary orbitals. The possibility of gaining the total energy of a system with complete electron transfer from an organic molecule to a PbO2 cluster model has been studied.