К ВОПРОСУ О КОНЦЕПЦИИ КВАНТОВО-ХИМИЧЕСКОЙ ТЕОРИИ РЕАКЦИОННОЙ СПОСОБНОСТИ ФУНКЦИОНАЛЬНЫХ ГРУПП ПОЛИМЕРОВ

Background. Each molecule of a polymer substrate actually represents a whole spectrum of substrates (reaction centers) with different reactivity. The reactivity of polymers, which depends on many factors, including the presence of functional groups, is a collective concept, currently needs to be interpreted within the framework of the fundamental concepts of polymer physics and chemistry. This concept is a band gap in the electronic spectrum, representing the difference in the energies of the lowest free and highest occupied molecular orbitals of the polymer. Purpose. Discussion of the new concept of the quantum-chemical theory of the reactivity of polymers containing various functional groups on the example of the reactivity of N, O-carboxymethylchitosan in the preparation of nanoparticles. Methodology. Conductometric titration, NMR, IR spectroscopy, quantum chemical theory were used in the work. Originality, the question of the quantum-chemical theory of describing the reactivity of polymers containing different functional groups is considered by the example of obtaining Bombyx mori carboxymethylchitosan nanoparticles by precipitating coacervation (various substitutions both in oxygen at C6 (O-CMCh) and in nitrogen in C2 (N- CMCh). Findings. Nanoparticles of (O-, N-) carboxymethylchitosan of various sizes and shapes were obtained by the method of precipitating coacervation; a new concept for describing the reactivity of polymers was presented. It has been shown that the formation of nanoparticles implies an interaction between protonated amino groups and carboxyl anionic groups, with the formation of covalent and / or ionic bonds, which contributes to their stabilization. [ABSTRACT FROM AUTHOR]