Journal of the Korean Chemical Society (대한화학회지)

Korean Chemical Society (대한화학회)
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MO Theoretical Studies on Organic Accelerators of Vulcanization

유기 가황촉진제에 관한 분자 궤도론적 연구

  • Ikchoon Lee (Department of Applied Chemistry, College of Engineering, Seoul National University)
  • 이익춘 (서울대학교 공과대학 응용화학과)
  • Published : 1971.12.30
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Abstract

The extended Huckel calculations on five organic accelerators of vulcanization have been carried out. Various MO quantities e.g., electron populations and AO coefficients, are used to explain accelerator reactivity of the compounds. Results of these analyses lead us to support free radical mechanism of acceleration in vulcanization.

5종의 유기 가황촉진제에 대하여 EHT법을 적용하였다. 전자밀도, 원자궤도함수의 계수 등을 이용하여 각 화합물의 촉진 반응을 검토하였으며 결과로 유기 가황촉진 반응은 라디칼 반응 임을 입증하였다

Keywords

References

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