%0 Journal Article
%T 苯乙基哌啶酮相关反应量子化学计算研究<br>Quantum Chemical Calculation of the Reaction Related Phenethylpiperidone
%A 杨博文
%A 赵志刚
%A 邵开元
%A 胡文祥
%J Journal of Comparative Chemistry
%P 114-123
%@ 2574-4135
%D 2018
%I Hans Publishing
%R 10.12677/CC.2018.23014
%X <div style=\"text-align:justify;\">
	本文通过量子化学计算所得的净亲电指数及Wiberg键级，阐明了苯乙基哌啶酮合成过程中的Michael加成和Dieckmann缩合反应机理，说明了从苯乙基哌啶酮生成席夫碱的反应活性，具有一定的理论意义。<br />
In this paper, the mechanism of Michael addition and Dieckmann condensation in the synthesis of phenethylpiperidone and the activity reaction of Schiff base from phenethylpiperidone were elu-cidated by the net electrophilic index and Wiberg bond level calculated by quantum chemistry. It has certain theoretical significance.
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%K 量子化学计算，净亲电指数，Wiberg键级，Michael加成，Dieckmann缩合，席夫碱<br>Quantum Chemistry Calculation
%K Net Electrophilic Index
%K Wiberg Bond Level
%K Michael Addition
%K Dieckmann Condensation
%K Schiff Base
%U http://www.hanspub.org/journal/PaperInformation.aspx?PaperID=26255