Reaction paths of the photochemical electrocyclic reaction of acrylaldehyde. A possible path via a zwitterion.
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概要
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The photochemical electrocyclic reaction paths of <I>s</I>-<I>cis</I>-acrylaldehyde to oxetene were examined on the basis of the potential surfaces obtained by the MINDO/3 CI calculation, and compared with those of the corresponding conjugated hydrocarbon system. The strong S<SUB>0</SUB>-S<SUB>2</SUB> interaction, which appears in the disrotatory mode of the cyclization of butadiene, was not observed in the acrylaldehyde–oxetene system. There appears to be a step-by-step path, in which the π→π<SUP>*</SUP> induced rotation of the methylene group is followed by the ring-closing step. The zwitterion in which the positive charge is localized on the terminal carbon atom is involved in this step. Since the σ lone-pair electrons of the oxygen atom play a key role in the ring-closing step, this path is characteristic of the hetero-atom conjugated system and cannot be deduced by analogy or by a simple extension of the concepts established for the photoreactions of all-hydrocarbon conjugated systems. The possible decay paths from acrylaldehyde in the excited states were also discussed.
- 公益社団法人 日本化学会の論文
著者
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Kikuchi Osamu
Department Of Anesthesia Kitano Hospital The Tazuke Kofukai Medical Research Institute
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Suzuki Keizo
Department Of Chemistry Faculty Of Science And Engineering Ritumeikan University
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Kubota Hiroshi
Department Of Appl Ed Physics Sccond Faculty Of Engineering Tokyo Univ.
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Kubota Hiroshi
Department of Chemistry, The University of Tsukuba
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