首页> 外文期刊>Russian Journal of General Chemistry >The Interaction of Maleic Anhydride,N-Vinylpyrrolidone, and Their Mixture with 2,2-Diphenyl-1-picrylhydrazyl
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The Interaction of Maleic Anhydride,N-Vinylpyrrolidone, and Their Mixture with 2,2-Diphenyl-1-picrylhydrazyl

机译:马来酸酐,N-乙烯基吡咯烷酮的相互作用及其与2,2-二苯基-1-富牛酰基的混合物

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摘要

Spectrophotometry studies have shown thatN-vinylpyrrolidone and/or maleic anhydride interact with 2,2-diphenyl-1-picrylhydrazyl radical in a solution. Thermochemical parameters of the most probable reactions involving these compounds have been estimated by means of the PM6 and B3LYP/6-31+G(d) (gas phase) density functional theory methods. It has been suggested that the stable radical is attached to the monomer molecule, the resulting radical being involved in the chain growth reactions. Termination via the oligomeric radicals recombination is the most probable.
机译:分光光度法研究表明,在溶液中与2,2-二苯基-1-硫酰肼相互作用,乙烯基吡咯烷酮和/或马来酸酐。 借助于PM6和B3LYP / 6-31 + G(气相)密度官能理论方法估计了涉及这些化合物的最可能反应的热化学参数。 已经提出,稳定的自由基与单体分子连接,所得到的基团参与链生长反应。 通过低聚自由基重组终止是最可能的。

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