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Density Functional Theory Study on the Addition Reactions of 4-methyl-benzaldoximes with Propene

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【作者】 张健马金广

【机构】 青岛科技大学滨州学院

【摘要】 The Michael addition reactions of Z and E 4-methyl-benzaldoximes with propene were investigated theoretically by DFT method at B3LYP/6-31G* level.The calculation results show that both addition reactions are concerted processes accompanied by the migration of hydrogen from the atom oxygen to carbon.Both products Z and E nitrones have dipolar charge distributions and activities.Z isomer is more favorable in the reaction due to the barrier is lower.

【所属期刊栏目】 人文社科 (2009年26期)
  • 【分类号】O621.3
  • 【下载频次】16
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