A density functional molecular orbital study of the C2-C7 and C2-C6 cyclization pathways of 1,2,4-heptatrien-6-ynes. The role of benzannulation

Journal of the American Chemical Society

Volumn 122, Issue 38, 2000, Pages 9265-9270

  Wenthold, Paul G ^a   Lipton, Mark A ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

1,2,4 HEPTATRIEN 6 YNES; ALLENE DERIVATIVE; BENZENE; BIS DEHYDROMETHYLFULVENE; CARBON; FULVIC ACID; NAPHTHALENE; RADICAL; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL REACTION; CYCLIZATION; DENSITY; ENERGY; MOLECULAR STABILITY; PREDICTION; REACTION ANALYSIS; THERMODYNAMICS;

EID: 0034721468     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja002050+     Document Type: Article

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