A DFT study on the reaction mechanisms of ketene-ketone [2 + 2 + 2] cycloaddition to form 3-aryglutaric anhydrides under a Lewis acid catalysis: What is the role of BF3?

Journal of Molecular Catalysis A: Chemical

Volumn 326, Issue 1-2, 2010, Pages 41-47

  Wei, Donghui ^a   Zhang, Wenjing ^a   Zhu, Yanyan ^a   Tang, Mingsheng ^a  

^a ZHENGZHOU UNIVERSITY   (China)

Author keywords

Density functional theory (DFT); Frontier molecular orbital; Ketene ketone cycloaddition; Lewis acid

Indexed keywords

[2+2+2] CYCLOADDITION; DFT STUDY; FRONTIER MOLECULAR ORBITAL; FRONTIER MOLECULAR ORBITALS; KETENE-KETONE CYCLOADDITION; LEWIS ACID; LEWIS ACID CATALYSIS; ORBITAL SYMMETRIES; REACTION CHANNELS; REACTION MECHANISM; THREE CHANNEL; TWO CHANNEL;

ACIDS; CHEMICAL BONDS; KETONES; MOLECULAR MODELING; MOLECULAR ORBITALS;

DENSITY FUNCTIONAL THEORY;

EID: 77953728885     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2010.04.005     Document Type: Article

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