Thermodynamic characteristics of adsorption of nitrogen-containing heterocycles on graphitized thermal carbon black derived from molecular statistical calculation. 1. Azines

Thermodynamic characteristics of adsorption (TCA) for six-membered aromatic nitrogen-containing heterocycles (azines), viz., pyridine, pyridazine, pyrimidine, and 1,3,5-triazine, on graphitized thermal carbon black (GTC) were experimentally determined and theoretically calculated. The best coincidence of the experiment and calculation is achieved using atom-atomic potential functions of intermolecular interactions, which allow for a decreased π-electron density in the aromatic system. The N atoms in the azine molecules are nonequivalent in terms of the adsorption behavior. The GTC surface very selectively adsorbs azines with different molecular structures, and this selectivity can be used for separation and chromatographic analysis of these compounds. The dependence of TCA of azines on the degree of aromaticity of their molecules has been established for the first time.