Аңдатпа
Quantum-chemical study of molecular objects, such as organic amine systems protonated inorganic acids, it becomes important not only to establish the characteristics of the geometric and electronic structure of the starting amides and their complexes, but also allows you to set a semi-empirical model of the protonation process by identifying patterns of change in the basic parameters of the structure. Comparative analysis of the characteristics of spatial and electronic structure model systems-substituted-acetamide inorganic acids (HF, HCl, H2SO4) on the basis of quantum-chemical calculations by PM3 bond lengths, the charge characteristics of the ionization potential of the dipole moments and led to the following conclusions: - In systems-alkyl derivatives acetamide hydrofluoric acid is a significant change in the bond lengths and values of the electronic characteristics is not observed; - In systems alkyls acetamide-HCl, H2SO4 lengths of C=O and C-N depend upon the nature of the inorganic acid and the change in the electronic characteristics during protonation independent of acid strength and due to the characteristics of their spatial and electronic structure and nature of the alkyl substituents in amino acetamide group.