Effect of N-Vinylpyrrolidone on Decomposition of Benzoyl Peroxide

Abstract— Decomposition of benzoyl peroxide in solution or bulk of N-vinylpyrrolidone, as well as in its mixtures with maleic anhydride and/or methyl methacrylate, was studied by ¹Н NMR spectroscopy. It was found that the benzoyl peroxide decomposition rate constants vary from 10^–3 s^–1 for a mixture of N-vinylpyrrolidone with maleic anhydride (1 : 1, 313 K) to 10^–4 s^–1 for a mixture with methyl methacrylate (1 : 1, 333 K). The activation energy for the decomposition of benzoyl peroxide in N-vinylpyrrolidone was estimated a 75.5±6.8 kJ/mol. Possible reaction pathways for the interaction of N-vinylpyrrolidone with the benzoate radical were proposed, and their thermochemical characteristics were evaluated at the ωB97x-V/def2-TZVP level.