A theoretical and experimental investigation of vicinal tricarbonyl systems and their hydrates

…, KM Morgan, KB Wiberg, HH Wasserman

文献索引：Henke, Susan L.; Hadad, Christopher M.; Morgan, Kathleen M.; Wiberg, Kenneth B.; Wasserman, Harry H. Journal of Organic Chemistry, 1993 , vol. 58, # 10 p. 2830 - 2839

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被引用次数: 17

摘要

The conformational preferences of the vinyl vicinal tricarbonyl reagent (VTC) and related triketones have been examined in the context of ab initio molecular orbital theory in order to better understand the properties of these reactive polyelectrophiles. The preferred conformation of the VTC methyl ester has been calculated to have the glyoxal unit twisted almost perpendicular to the plane of the ester unit. These results support the recent ...