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

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

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