Quantum-Chemical Study of the Reaction of N-Vinylpyrrolidone with Maleic Anhydride

Turina T. G.; Zarechnaya O. M.; Zaitseva V. V.; Zaitsev S. Yu.

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Quantum-Chemical Study of the Reaction of N-Vinylpyrrolidone with Maleic Anhydride

机译：N-乙烯基吡咯烷酮与马来酸酐反应的量子化学研究

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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.

机译：计算N-乙烯基吡咯烷酮的结构异构体与气相中的马来酸酐的结构异构体的反应。其中一种反应途径导致马来酸酐的形成和再生，作为（共）聚合和N-乙烯基吡咯烷酮的二聚化的方法的活化剂。根据计算，N- vintlpyrrolidone的中间体，异构体是单次曲面和Zwitter离子形式的杂种。

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来源
《Russian Journal of General Chemistry》 |2017年第3期|共10页
作者
Turina T. G.; Zarechnaya O. M.; Zaitseva V. V.; Zaitsev S. Yu.;
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作者单位

LM Litvinenko Inst Phys Organ &

Coal Chem Ul R Lyuksemburg 70 UA-83114 Donetsk Ukraine;

LM Litvinenko Inst Phys Organ &

Coal Chem Ul R Lyuksemburg 70 UA-83114 Donetsk Ukraine;

LM Litvinenko Inst Phys Organ &

Coal Chem Ul R Lyuksemburg 70 UA-83114 Donetsk Ukraine;

KI Scryabin Moscow State Acad Vet Med &

Biotechno Moscow Russia;

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正文语种 eng
中图分类化学;
关键词
N-vinylpyrrolidone; maleic anhydride; quantum chemical calculation;

机译：N-乙烯基吡咯烷酮;马来酸酐;量子化学计算;

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专利

1. Quantum-Chemical Study of the Reaction of N-Vinylpyrrolidone with Maleic Anhydride [J] . Turina T. G., Zarechnaya O. M., Zaitseva V. V., Russian Journal of General Chemistry . 2017,第3期

机译：N-乙烯基吡咯烷酮与马来酸酐反应的量子化学研究
2. A computational study of the Diels-Alder reactions between 2,3-dibromo-1,3-butadiene and maleic anhydride [J] . Rivero Uxia, Meuwly Markus, Willitsch Stefan Chemical Physics Letters . 2017,第期

机译：二溴-1,3-丁二烯和马来酸酐与马来酸酐的二氧化物反应的计算研究
3. Studying the Effect of High Pressure on the Cycloaddition Reactions of Maleic Anhydride and Substituted Anthracenes [J] . V. D. Kiselev, I. I. Shakirova, D. A. Kornilov, Russian Journal of Physical Chemistry . 2013,第1期

机译：研究高压对马来酸酐与取代蒽的环加成反应的影响
4. Reactions of Zerovalent Ruthenium Complexes with Maleic Anhydride or Maleimides:Ligand Displacement vs Oxidative Cyclization [C] . Yasuyuki Ura, Taka-aki Utsumi, Masashi Shiotsuki, Symposium on Organometallic Chemistry . 2003

机译：Zeropalent钌配合物与马来酸酐或马来酰亚胺的反应：配体位移与氧化环化
5. Enthalpy and Entropy in Chemical Reactivity: I. Temperature Dependence of Secondary Deuterium Isotope Effects on the Acidity of Carboxylic Acids and Phenols, and a Rejection of any Inductive Contribution II. Kinetic and Mechanistic Studies of Reactions of Malonic Anhydrides III. Developing an ITC Method to Measure Heats of Proton Transfer [D] . Flach, Agnes 2012

机译：化学反应的焓和熵：I.次级氘同位素的温度依赖性对羧酸和苯酚酸度的影响，以及任何感应贡献的抑制II。丙二酸酐反应的动力学和机理研究。开发用于测量质子传递热的ITC方法
6. Synthesis and reactions of a nucleoside derivative of phosphoric sulfonic anhydride. Studies related to the mechanisms of coupling reactions in the chemical synthesis of oligodeoxyribonucleotides by phosphotriester procedures. [O] . W Dabkowski, Z Skrzypczynski, J Michalski, 1984

机译：磷磺酸酐的核苷衍生物的合成和反应。有关通过磷酸三酯方法化学合成寡脱氧核糖核苷酸中偶联反应机理的研究。
7. Studies of complex resins obtained by the reaction of polyethyleneimine with maleic anhydride-isobutene copolymer. II. Adsorption of chromium(VI) by the complex resins obtained from polyethylenimine and maleic anhydride-isobutene copolymer. [O] . Ryunosuke NAITO, Hiroshi UCHIDA, Shiro USAMI, 1986

机译：用马来酸酐 - 异丁烯共聚物的聚乙烯亚胺反应获得的复合树脂的研究。 II。从聚乙胺和马来酸酐 - 异丁烯共聚物中获得的复合树脂吸附铬（VI）。
8. Results of a Skin Sensitization Study (LLNA) in Mice with Alenes, C20-24, alpha-, polymers with Maleic anhydride, Reaction Products with 2,2,6,6-tetramethyl- 4-piperidinamine. [R] . 2010

机译：具有alenes，C20-24，α-的聚合物，具有马来酸酐的聚合物，具有2,2,6,6-四甲基-4-哌啶胺的反应产物的皮肤致敏研究（LLNa）的结果。

Quantum-Chemical Study of the Reaction of N-Vinylpyrrolidone with Maleic Anhydride

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