Abstract

Spectrophotometry studies have shown that N-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.

中文翻译：

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马来酸酐，N-乙烯基吡咯烷酮及其与2,2-二苯基-1-吡咯并肼的混合物的相互作用

摘要

分光光度法研究表明，N-乙烯基吡咯烷酮和/或马来酸酐与溶液中的2，2-二苯基-1-吡啶并肼基反应。涉及这些化合物的最可能反应的热化学参数已通过PM6和B3LYP / 6-31 + G（d）（气相）密度泛函理论方法进行了估算。已经提出，稳定的基团连接到单体分子上，所得的基团参与链增长反应。通过低聚自由基重组终止的可能性最大。