Understanding the Regioselectivity and the Molecular Mechanism of [3 + 2] Cycloaddition Reactions between Nitrous Oxide and Conjugated Nitroalkenes: A DFT Computational Study

Regiochemical aspects and the molecular mechanism of the [3 + 2] cycloaddition between nitrous oxide and conjugated nitroalkenes were evaluated on the basis of the wb97xd/6-311 + G(d) (PCM) computational study. It was found that, independently of the nature of the nitroalkene, all considered process...

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Detalles Bibliográficos
Autores principales: Dresler, Ewa, Wróblewska, Aneta, Jasiński, Radomir
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9738823/
https://www.ncbi.nlm.nih.gov/pubmed/36500530
http://dx.doi.org/10.3390/molecules27238441

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9738823/
https://www.ncbi.nlm.nih.gov/pubmed/36500530
http://dx.doi.org/10.3390/molecules27238441

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