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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 16, Number 1
JKCSEZ 16(1)
February 20, 1972 

Theoretical Studies of Diels-Alder Reaction (Part Ⅰ). Correlation between the Stabilization Energies of the Transition States and the Resonance Energies of the Isolated Systems

Diels-Alder 반응에 대한 이론적 연구 (제1보) 천이상태의 안정화에너지와 고립분자의 공명에너지간의 상관관계
Young Suek Hong, Byung Kak Park

홍영석, 박병각
The stabilization energies by interconjugations at the transition states in various Diels-Alder reactions were calculated. It has been found that the stabilization energies are inversely proportional to resonance energies of isolated molecules of polyene and heterocyclic system before reactions. It has been noted that the resonance energies of dienes are smaller than those of dienophiles in two different molecules. Therefore, the possibility of charge-transfer from dienes to dienophiles is hinted.
33 - 39
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