Journal of the Korean Chemical Society (대한화학회지)

Korean Chemical Society (대한화학회)
권호 표지

MO Studies of Configurations and Conformations (Ⅶ). Composite ${\pi}$ Structure Analysis of Nonbonded Interactions

配置와 形態에 關한 分子軌道論的 硏究 (濟7報). 非結合相互作用의 複合파이構造 分析

  • Ikchoon Lee (Department of Chemistry, Inha University) ;
  • Bon-Su Lee (Department of Chemical Engineering, Ajou Institute of Technology)
  • 이익춘 (仁荷大學敎 理科大學 化學科) ;
  • 이본수 (亞洲工科大學 化學工學科)
  • Published : 1980.04.30
Download PDF
⟨ Previous Next ⟩

Abstract

Composite ${\pi}$-structure analysis has been proposed for predicting relative isomer stabilities based on nonbonded effects: all the possible crowded ${\pi}$-structures are identified for each isomer, and the systems are represented by abbreviated notation of $(n{\pi}/m)$ : then using simple rules and additivity of the nonbonded effects, the order of stability can be determined. A number of examples are given in support of this analytical procedure.

비결합 효과를 기초로 하여 상대적인 이성질체의 안정도를 예측하는 복합파이구조 분석법을 제안하였다. 우선 각 이성질체내의 모든 고리구조를 찾아내고, 이들을 $(n{\pi}/m)$형의 약호로 나타낸 다음 간단한 규칙과 가감율을 사용하여 안정도 순위를 결정한다. 이 분석절차의 예를 여러가지 들어 해설하였다.

Keywords

References

  1. J. Amer. Chem. Soc. v.95 N. D. Epiotis
  2. J. Amer. Chem. Soc. v.99 N. D. Epiotis;R. L. Yates;J. R. Lerson;C. N. Kirmier;F. Bernardi
  3. J. Amer. Chem. Soc. v.100 J. R. Larson;N. D. Epiotis;F. Bernardi
  4. J. Amer. Chem. Soc. v.101 T. K. Brunck;F. Weinhold
  5. J. Korean Chem. Soc. I. Lee
  6. J. Amer. Chem. Soc. v.88 R. Hoffmann;R. A. Olofson
  7. The Organic Chemists Book of Orbitals W. L. Jorgensen;L. Salem
  8. J. Chem. Phys. v.27 W. J. Tabor
  9. Special Publication No. 11 Tables of Interatomic Distances and Configurations in Molecules and Ions L. E. Sutton(Ed.)
  10. Can. J. Chem. v.45 E. Bock;D. Iwacha
  11. Acta Crystallogr. v.9 J. D. Dunitz
  12. The Chemistry of Alkenes K. Mackenzie;S. Patai(Ed.)
  13. J. Amer. Chem. Soc. v.98 F. Bernardi;N. D. Epiotis;R. L. Yates;H. B. Schlegel
  14. J. Amer. Chem. Soc. v.97 N. D. Epiotis;R. L. Yates;F. Berdardi
  15. I Lee
  16. J. Amer. Chem. Soc. v.95 N. D. Epiotis;D. Bjorkquist;L. Bjorlquist;S. Sarkanen
  17. J. Korean Nucl. Soc. v.4 I. Lee