Quantum-chemical study of the reaction of N-vinylpyrrolidone with maleic anhydride

Аннотация

Energy profiles are calculated for the reaction of the structural isomer of N-vinylpyrrolidone with maleic anhydride in the gas phase. One of the reaction pathways leads to the formation and regeneration of maleic anhydride, acting as an activator of the process of (co)polymerization and dimerization of N-vinylpyrrolidone. According to calculations, the intermediate, isomer of N-vintlpyrrolidone, is a hybride of the singlet biradical and zwitter-ionic form.