| Autor: |
Agnieszka Fryźlewicz, Aleksandra Olszewska, Karolina Zawadzińska, Przemysław Woliński, Karolina Kula, Agnieszka Kącka-Zych, Agnieszka Łapczuk-Krygier, Radomir Jasiński |
| Jazyk: |
angličtina |
| Rok vydání: |
2022 |
| Předmět: |
|
| Zdroj: |
Organics, Vol 3, Iss 1, Pp 59-76 (2022) |
| Druh dokumentu: |
article |
| ISSN: |
2673-401X |
| DOI: |
10.3390/org3010004 |
| Popis: |
We investigated the reactivity of different substituted nitrylimine-type three atom components (TACs) in [3+2] cycloaddition (32CAs) reactions with electrophilically activated nitroethenes within molecular electron density theory (MEDT). In parallel research, the molecular mechanism of the considered transformation was examined through analysis of all possible reaction channels and full optimization of all critical structures. In particular, the existence of zwitterionic intermediates on reaction paths was verified. On the basis of the bonding evolution theory (BET), the mechanism of the 32CA reaction between C,N-diphenylnitrylimine and (E)-2-phenyl-1-cyano-1-nitroethene should be treated as a one-step two-stage mechanism. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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