Catalysis Today

Ab initio study of the selective alkylation of m-cresol with tert-butanol catalyzed by SO 3 H-functionalized ionic liquids

J Zhou, X Liu, S Zhang, J Mao, X Guo

文献索引：Zhou, Jinxia; Liu, Xiumei; Zhang, Shuguang; Mao, Jingbo; Guo, Xinwen Catalysis Today, 2010 , vol. 149, # 1-2 p. 232 - 237

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被引用次数: 3

摘要

Our previous work showed that for catalytic alkylation of m-cresol with tert-butanol (TBA) SO3H-functionalized ionic liquids exhibited several characteristic advantages over conventional catalysts. This work investigated the reaction mechanism of the alkylation of m- cresol with tert-butanol catalyzed by the SO3H-functionalized ionic liquid (IL) through quantum chemical calculation in combination with the experimental studies. The ...