引用本文:
Guo Ping LI, Wei Ren XU, Xian Jie LIN, Cheng Bu LIU. Theoretical Study on the Addition Reactions of Benzaldoximes with Propene[J]. Chinese Chemical Letters,
2006, 17(3): 423-426.
Citation: Guo Ping LI, Wei Ren XU, Xian Jie LIN, Cheng Bu LIU. Theoretical Study on the Addition Reactions of Benzaldoximes with Propene[J]. Chinese Chemical Letters, 2006, 17(3): 423-426.
Citation: Guo Ping LI, Wei Ren XU, Xian Jie LIN, Cheng Bu LIU. Theoretical Study on the Addition Reactions of Benzaldoximes with Propene[J]. Chinese Chemical Letters, 2006, 17(3): 423-426.
Theoretical Study on the Addition Reactions of Benzaldoximes with Propene
摘要:
The Michael addition reactions of Z and E 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.
English
Theoretical Study on the Addition Reactions of Benzaldoximes with Propene
Abstract:
The Michael addition reactions of Z and E 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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Key words:
- Z-Benzaldoxime
- / E-benzaldoxime
- / Michael addition reaction
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