A Molecular Orbital Study on the Aldol Reaction of Aldehyde with Silyl Ketene Acetal Catalyzed by Borane
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概要
- 論文の詳細を見る
The aldol reaction of aldehyde with silyl ketene acetal catalyzed by borane was studied using ab initio molecular orbital method. We investigated the reaction CH_2O+CH_2C(OH)OSiH_3→CH_2(OSiH_3)CH_2COOH using BH_3 as a catalyst. A molecular complex between CH_2O and BH_3 was found. The interaction between the HOMO of CH_2C(OH)OSiH_3 and the LUMO of the molecular complex led to the C-C bond formation between them. The silyl group migration, following the C-C bond formation, was promoted by the HOMO-LUMO interaction of the intermediate of the reaction.
- 東海大学の論文
著者
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Watanabe Mikio
Department Of Biology Aichi Kyoiku University
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Ishikawa Shigeru
Department Of Chemistry School Of Science Tokai University
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WATANABE Mikio
Department of Chemistry, School of Science, Tokai University
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