Computational Revision of the Mechanism of the Thorpe Reaction
The Thorpe reaction is described as a self-condensation of nitriles in the presence of a basic catalyst producing β-enaminonitriles. We performed theoretical calculations within the Density Functional Theory (DFT) framework at the ωB97XD/def2-svpd level to explore different mechanistic proposals whe...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-11-01
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| Series: | Chemistry Proceedings |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2673-4583/12/1/29 |