Email this article Quantum-chemical study of the reaction of N-vinylpyrrolidone with maleic anhydride
- Authors: Turina T.G.1, Zarechnaya O.M.1, Zaitseva V.V.1, Zaitsev S.Y.2
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Affiliations:
- L.M. Litvinenko Institute of Physical Organic and Coal Chemistry
- K.I. Scryabin Moscow State Academy of Veterinary Medicine and Biotechnology
- Issue: Vol 87, No 3 (2017)
- Pages: 489-498
- Section: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/218816
- DOI: https://doi.org/10.1134/S1070363217030197
- ID: 218816
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Abstract
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.
About the authors
T. G. Turina
L.M. Litvinenko Institute of Physical Organic and Coal Chemistry
Email: valzaitseva@mail.ru
Ukraine, ul. R. Lyuksemburg 70, Donetsk, 83114
O. M. Zarechnaya
L.M. Litvinenko Institute of Physical Organic and Coal Chemistry
Email: valzaitseva@mail.ru
Ukraine, ul. R. Lyuksemburg 70, Donetsk, 83114
V. V. Zaitseva
L.M. Litvinenko Institute of Physical Organic and Coal Chemistry
Author for correspondence.
Email: valzaitseva@mail.ru
Ukraine, ul. R. Lyuksemburg 70, Donetsk, 83114
S. Yu. Zaitsev
K.I. Scryabin Moscow State Academy of Veterinary Medicine and Biotechnology
Email: valzaitseva@mail.ru
Russian Federation, Moscow
