A DFT study on enantioselective synthesis of aza-β-lactams via NHC-catalyzed [2 + 2] cycloaddition of ketenes with diazenedicarboxylates

Journal of Molecular Catalysis A: Chemical

Volumn 334, Issue 1-2, 2011, Pages 108-115

  Wei, Donghui ^a   Zhu, Yanyan ^a   Zhang, Cong ^a   Sun, Dongzhen ^a   Zhang, Wenjing ^a   Tang, Mingsheng ^a  

^a ZHENGZHOU UNIVERSITY   (China)

Author keywords

Density functional theory (DFT); Ketenes diazenedicarboxylates cycloaddition; N Heterocyclic carbenes (NHC) catalyst

Indexed keywords

[2 + 2] CYCLOADDITION; DFT STUDY; EFFICIENT CATALYSTS; ENANTIOSELECTIVE SYNTHESIS; FRONTIER MOLECULAR ORBITALS; KETENES-DIAZENEDICARBOXYLATES CYCLOADDITION; N-HETEROCYCLIC CARBENES; OPTIMIZED GEOMETRIES; REACTIVITY INDICES; SOLVENT EFFECTS; TRANSITION STATE;

AMIDES; CARBON INORGANIC COMPOUNDS; CATALYSIS; CATALYSTS; DICHLOROMETHANE; ENANTIOSELECTIVITY; MOLECULAR ORBITALS; REACTION INTERMEDIATES; SYNTHESIS (CHEMICAL);

DENSITY FUNCTIONAL THEORY;

EID: 78650511798     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2010.11.004     Document Type: Article

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