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

Acta Chimica Sinica ›› 1989, Vol. 47 ›› Issue (3): 308-311. Previous Articles

Original Articles

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

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

Abstract

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

CLC Number:

O621.16

Cite this article

LIU XINHOU;LIU RUOZHUANG. On the mechanisms of photosensitized oxygenation of olefins II: Reaction ergodography for [2+2] cycloaddition of singlet oxygen to propylene[J]. Acta Chimica Sinica, 1989, 47(3): 308-311.

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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

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

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