TOPOLOGICAL AND QUANTUM-CHEMICAL INVESTIGATION OF SPATIAL STRUCTURE OF ANHYDRIDES OF NORBONENE DICARBOXYLIC ACIDS

In this work the interrelation of topological and quantum-chemical calculations with spatial structure of endo- and exo- bicycle/2.2.1/-hept-5-ene-2,3-dicarboxylic acids has been firstly shown. The theoretical-graph description of these molecules has been established on the basis of topological indices of information content of the graph relative to environs of k order (IC_k), complete information content (TIC_k), structural information content (SIC_k), information content of binding (BIC_k) and complementary information content (CIC_k). Semi-empirical method MINDO was used for quantum-chemical calculations.