Chem. J. Chinese Universities ›› 1986, Vol. 7 ›› Issue (1): 59.
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Guo Jinbo, Huang Zhiqing, Wang Li
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Abstract: The paper deals with the study about reaction mechanism of acetylation in aromatic ring catalyzed with AlCl3 by method of CNDO/2. The calculation found: (1) a more preferable route of reaction process and activation energy, (2) the generation of δ-complex alone in the course of the reaction process and no π-compkcx formation. The paper further shows that on accout of the solvent effect activation energy has been decreased.
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Guo Jinbo, Huang Zhiqing, Wang Li . Route of Aromatic Ring Acetylation Calculated by CNDO/2 Method[J]. Chem. J. Chinese Universities, 1986, 7(1): 59.
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http://www.cjcu.jlu.edu.cn/EN/Y1986/V7/I1/59
