Theoretical analysis of reactivity patterns in Diels-Alder reactions of cyclopentadiene, cyclohexadiene, and cycloheptadiene with symmetrical and unsymmetrical dienophiles

Journal of Organic Chemistry

Volumn 80, Issue 7, 2015, Pages 3530-3537

  Levandowski, Brian J ^a   Houk, K N ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL REACTIONS; OLEFINS; QUANTUM THEORY;

CYCLOHEXADIENES; CYCLOPENTADIENES; DIELS-ALDER REACTION; QUANTUM-MECHANICAL CALCULATION; REACTIVITY PATTERN; STEPWISE REACTION; TRANSITION STATE; TRANSITION STATE GEOMETRY;

DENSITY FUNCTIONAL THEORY;

ALKADIENE; CYCLOPENTADIENE DERIVATIVE; 1,4-CYCLOHEXADIENE; CYCLOHEPTANE DERIVATIVE; CYCLOHEXENE DERIVATIVE; CYCLOPENTANE DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL BOND; COMPARATIVE STUDY; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DIELS ALDER REACTION; GEOMETRY; QUANTUM MECHANICS; CHEMICAL STRUCTURE; CHEMISTRY; CYCLOADDITION; QUANTUM THEORY; STEREOISOMERISM; THEORETICAL MODEL;

CYCLOADDITION REACTION; CYCLOHEPTANES; CYCLOHEXENES; CYCLOPENTANES; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR STRUCTURE; QUANTUM THEORY; STEREOISOMERISM;

EID: 84926673382     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/acs.joc.5b00174     Document Type: Article

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