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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 16, Number 3
JKCSEZ 16(3)
June 20, 1972 

 
Title
Determination of Reactivities by Molecular Orbital Theory. Part Ⅳ. Application of IMO Method to Some Thermal Diels-Alder Reactions
Author
Chang Hoon Park, Ikchoon Lee
Keywords
Abstract
IMO 이론을 naphthalene, phenanthrene 및 1,2-benzanthracene과 maleic anhydride와의 Diels-Alder 반응에 적용하였다. Alternant hydrocarbon에서 열적 부가반응이 일어 나리라 예상되는 위치가 실험결과와 잘 일치하였다. 계산된 안정화 에너지로부터 부가생성물 중의 이성체들의 상대적 양이 설명되었으며 또 Brown의 paralocalization 에너지와 안정화에너지 사이에 좋은 직선성이 있음을 알았다.

The intermolecular orbital theory was applied to the Diels-Alder reactions of naphthalene, phenanthrene and 1,2-benzanthracene with maleic anhydride. The expected positions of thermal addition in the alternant hydrocarbons were in agreement with experiment. It was also possible to explain the relative proportions of two isomeric adducts with the calculated stabilization energies. Comparison of the results with paralocalization energies of Brown gave a good linear correlation.

Page
142 - 148
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