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A density functional study of chiral phosphoric acid-catalyzed direct arylation of trifluoromethyl ketone and diarylation of methyl ketone: reaction mechanism and the important role of the CF3 group

Aiping Fu,*a   Wei Meng,b   Hongliang Li,a   Jing Nieb and   Jun-An Ma*b  
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Institute for Computational Science and Engineering, Laboratory of New Fiber Materials and Modern Textile, the Growing Base for State Key Laboratory, Qingdao University, Qingdao 266071, China
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Department of Chemistry, Key Laboratory of Systems Bioengineering (the Ministry of Education), State Synergetic Innovation Center of Chemical Science and Engineering, Tianjin University, Tianjin 300072, China
Org. Biomol. Chem., 2014,12, 1908-1918

DOI: 10.1039/C3OB42157K
Received 31 Oct 2013, Accepted 21 Jan 2014
First published online 22 Jan 2014
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