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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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a
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
E-mail: faplhl@eyou.com, apfu@qdu.edu.cn;
Fax: +86-532-85950768 ;
Tel: +86-532-85950767
b
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
E-mail: majun_an68@tju.edu.cn
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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