MECHANISMS OF SENSITIZED PHOTO-OXIDATION OF OLEFINS Ⅲ. REACTION ERGODOGRAPHY FOR ENE REACTION OF SINGLET OXYGEN (1Δg) WITH PROPENE

doi:10.7517/j.issn.1674-0475.1987.04.26

Imaging Science and Photochemistry ›› 1987, Vol. 5 ›› Issue (4): 26-31.DOI: 10.7517/j.issn.1674-0475.1987.04.26

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MECHANISMS OF SENSITIZED PHOTO-OXIDATION OF OLEFINS Ⅲ. REACTION ERGODOGRAPHY FOR ENE REACTION OF SINGLET OXYGEN (¹Δ_g) WITH PROPENE

LIU XIN-HOU¹, LIU RUO-ZHUANG²

1. Institute of Photographic Chemistry, Aeademia Siniea, Beijing;
2. Department of Chemistry, Beijing Normal University, Beijing

Received:1986-09-18 Revised:1987-02-09 Online:1987-11-20 Published:1987-11-20

Abstract

Abstract: In this paper,the Ene reaction of singlet Oxygen (¹Δ_g) with propene was examined using MINDO/3. The overall reaction path for singlet oxygen (¹Δ_g) with propene was calculated using Fukui's Intrinsic Reaction Coordinate (IRC) Theory. The calculated results predict that the reaction takes place in steps via a perepoxide intermediate. Through the analysis along the reaction paths of the two elementary reactions,the interactions between reactants,the ste-reochemical path and so on were discussed.

Key words: olefins, singlet oxygen, sensitized photo-oxidation, reaction ergodography, Ene reaction

LIU XIN-HOU, LIU RUO-ZHUANG. MECHANISMS OF SENSITIZED PHOTO-OXIDATION OF OLEFINS Ⅲ. REACTION ERGODOGRAPHY FOR ENE REACTION OF SINGLET OXYGEN (¹Δ_g) WITH PROPENE[J]. Imaging Science and Photochemistry, 1987, 5(4): 26-31.

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MECHANISMS OF SENSITIZED PHOTO-OXIDATION OF OLEFINS Ⅲ. REACTION ERGODOGRAPHY FOR ENE REACTION OF SINGLET OXYGEN (¹Δ_g) WITH PROPENE

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