Cooperative and competitive substituent effects on the Cope rearrangements of phenyl-substituted 1,5-hexadienes elucidated by Becke3LYP/6-31G* calculations

Journal of the American Chemical Society

Volumn 122, Issue 31, 2000, Pages 7456-7460

  Hrovat, David A ^a   Chen, Jiangang ^b   Houk, K N ^b   Borden, Weston Thatcher ^a  

^a UNIVERSITY OF WASHINGTON   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKADIENE; HEXANE; PHENYL GROUP;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; ENTHALPY; GEOMETRY; PHASE TRANSITION; REACTION ANALYSIS;

EID: 0034625899     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja000531n     Document Type: Article

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33. 23
34. 8
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37. 6
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40. These are the angles between the bonds to C-2 and the planes formed by the terminal carbons and the two substituents attached to them.
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43. 23
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