Photochemical electrocyclic reaction mechanism of methyleneamine N-oxide to form oxaziridine. MINDO/3 CI study.
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概要
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The photochemical electrocyclic reaction mechanism of methyleneamine <I>N</I>-oxide to form oxaziridine was explored on the basis of the potential energy surfaces obtained by the MINDO/3 CI calculation. The strong interaction between the ground state and the doubly-excited state, which appears in the disrotatory cyclization process of the corresponding hydrocarbon system, was not observed. Instead, a deep potential well, which can be a leakage channel from the excited state to the ground state, was found in the S<SUB>1</SUB> surface. The predicted reaction path is characteristic of hetero-atom conjugated systems, and an important participation of the oxygen σ lone-pair electrons is expected in this reaction path.
- 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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Morihashi Kenji
Department Of Chemistry University Of Tsukuba
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