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化学学报
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化学学报 ›› 1989, Vol. 47 ›› Issue (3): 308-311. 上一篇    

研究论文

烯烃光敏氧化反应机理 II: 丙烯与单线态氧[2+2]环加成反应途径的解析

刘新厚;刘若庄   

  1. 中国科学院感光化学研究所;北京师范大学化学系
  • 发布日期:1989-03-15

On the mechanisms of photosensitized oxygenation of olefins II: Reaction ergodography for [2+2] cycloaddition of singlet oxygen to propylene

LIU XINHOU;LIU RUOZHUANG   

  • Published:1989-03-15

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本文进一步报道丙烯与单线态氧[2+2]环加成反应途径的计算结果, 沿反应途径反应物间相互作用的详细情况和甲基在反应进程中的动态电子效应, 从而揭示烷基取代烯烃与单线态氧不易发生[2+2]环加成反应的原因. 为进一步探求单线态氧与烯烃[2+2]环加成反应的必要条件提供依据. 本文所用计算方法与前文相同.

关键词: 反应机理, 丙烯, 烯烃, 环加成反应, 单线态氧, 光敏化氧化

The mechanism of [2+2] cycloaddn. of singlet oxygen to propylene was examined using MINDO/3 with the energy gradient technique. The total reaction path has been calculated using Fukui's intrinsic reaction coordinate theory. The reaction is predicted to take place via a peroxide intermediate. The interactions between reactants, the stereochem. path, and the dynamic electronic effects of substituents are discussed.

Key words: REACTION MECHANISM, PROPENE, ALKENE, CYCLOADDITION REACTION, SINGLET OXYGEN, PHOTOSENSITIZATION OXIDATION

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