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该文用AM1方法研究了2-羰基嘧啶及其衍生物的酮式和醇式互变异构反应.结果表明,酮式异构体比醇式异构体要稳定一些,异构化反应是氢原子H_(11)带正电荷迁移引发的电荷控制反应.
In this work, keto and alcohol tautomerism of 2-carbonyl pyrimidine and its derivatives was studied by AM1 method. The results showed that the keto isomers were more stable than the alcohol isomers and the isomerization was Charge Control Reaction Caused by Hydrogen Atom H_ (11) with Positive Charge Transport.