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2009, (26) 552-553

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

张健;马金广;

摘要(Abstract):

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.

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作者(Author): 张健;马金广;

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