A DFT computational study on the [3+2] cycloaddition between parent thionitrone and nitroethene
A molecular mechanism of the [3+2] cycloaddition has been explored using various DFT theoretical levels. It was found that the reaction proceeds via transition states with different synchronicity, but no intervention of the theoretical possible zwitterionic intermediates. Additionally, regioselectiv...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Growing Science
2018-02-01
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| Series: | Current Chemistry Letters |
| Subjects: | |
| Online Access: | http://www.growingscience.com/ccl/Vol7/ccl_2018_3.pdf |