DFT study of the 1,3-dipolar cycloaddition of azomethine ylides with maleimide, maleic anhydride, methylacrylate and some simple substituted alkenes

Journal of Physical Organic Chemistry

Volumn 23, Issue 2, 2010, Pages 148-155

  Kumar Das, Tapas ^a   Banerjee, Manas ^a  

^a UNIVERSITY OF BURDWAN   (India)

Author keywords

1,3 DC; Activation energy; Azomethine ylides; DFT; Electrophilicity; Enthalpy and free energy of activation; Transition state

Indexed keywords

AZOMETHINE YLIDES; BASIS SETS; BOND ORDERS; DFT; DFT CALCULATION; DFT STUDY; DIPOLAR CYCLOADDITIONS; ELECTROPHILICITY; HOMO-LUMO ENERGIES; MALEIMIDES; METHYL ACRYLATES; REGIOSELECTIVITY AND ENANTIOSELECTIVITY; STRUCTURE OPTIMIZATION; SUBSTITUTED ALKENE; TRANSITION STATE;

CYCLOADDITION; ELECTRON TRANSITIONS; ENANTIOSELECTIVITY; ENTHALPY; ETHYLENE; FREE ENERGY; HYDROCARBONS; MALEIC ANHYDRIDE; PROBABILITY DENSITY FUNCTION; REGIOSELECTIVITY; STRUCTURAL OPTIMIZATION; SULFUR COMPOUNDS;

ACTIVATION ENERGY;

EID: 76749112985     PISSN: 08943230     EISSN: 10991395     Source Type: Journal    
DOI: 10.1002/poc.1597     Document Type: Article

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