A Theoretical Study on the Photochemical Isomerization of 2,6-Dimethylpyrazine
DFT calculations on the photoisomerization of 2,6-dimethylpyrazine allowed us to confirm the role of benzvalene isomers in the isomerization of hexatomic heterocyclic compounds. 2,6-Dimethylpyrazine in the excited singlet states can be converted into the corresponding Dewar isomers. If the S<sub&...
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-05-01
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| Series: | Organics |
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| Online Access: | https://www.mdpi.com/2673-401X/3/2/7 |