An understanding of the electrophilic/nucleophilic behavior of electro-deficient 2,3-disubstituted 1,3-butadienes in polar Diels-Alder reactions. A density functional theory study

Journal of Physical Chemistry A

Volumn 112, Issue 17, 2008, Pages 4046-4053

  Domingo, Luis R ^a   Chamorro, Eduardo ^b   Pérez, Patricia ^b  

^a UNIVERSITY OF VALENCIA   (Spain)

^b UNIVERSIDAD ANDRÉS BELLO   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

BUTADIENE; CHEMICAL BONDS; CHEMICAL REACTIONS; CYCLOADDITION; PROBABILITY DENSITY FUNCTION;

AMERICAN CHEMICAL SOCIETY (ACS); CYCLOADDITION REACTIONS; DENSITY-FUNCTIONAL (DF); DFT METHODS; DIELS-ALDER (DA) REACTION; DIENOPHILE; ELECTRON DEFICIENT; ELECTRON-LOCALIZATION FUNCTION (ELF); ELECTRONIC NATURES; ELECTROPHILICITY; NATURAL BOND ORBITAL (NBO); TOPOLOGICAL ANALYSIS; TRANSITION STRUCTURE (TS);

DENSITY FUNCTIONAL THEORY;

EID: 45249085292     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp711704m     Document Type: Article

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