Mechanistic DFT Study of 1,3-Dipolar Cycloadditions of Azides with Guanidine
Density functional calculations SMD(chloroform)//B3LYP/6-311+G(2d,p) were employed in the computational study of 1,3-dipolar cycloadditions of azides with guanidine. The formation of two regioisomeric tetrazoles and their rearrangement to cyclic aziridines and open-chain guanidine products were mode...
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| Główni autorzy: | , , |
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| Format: | Artigo |
| Język: | Inglês |
| Wydane: |
MDPI AG
2023-03-01
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| Seria: | Molecules |
| Hasła przedmiotowe: | |
| Dostęp online: | https://www.mdpi.com/1420-3049/28/5/2342 |
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