A DFT computational study of the molecular mechanism of [3 + 2] cycloaddition reactions between nitroethene and benzonitrile N-oxides

DFT calculations were performed to shed light on the molecular mechanism of [3 + 2] cycloadditions of simple conjugated nitroalkenes to benzonitrile N-oxides. In particular, it was found that these processes proceed by a one-step mechanism through asynchronous transition states. According to the lat...

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Detalles Bibliográficos
Autores principales: Jasiński, Radomir, Jasińska, Ewa, Dresler, Ewa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2016
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5196010/
https://www.ncbi.nlm.nih.gov/pubmed/28032222
http://dx.doi.org/10.1007/s00894-016-3185-8

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5196010/
https://www.ncbi.nlm.nih.gov/pubmed/28032222
http://dx.doi.org/10.1007/s00894-016-3185-8

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