A computational investigation towards substitution effects on 8π electrocyclisation of conjugated 1,3,5,7-octatetraenes

A computational investigation using M06-2X/6-31+G(d) method is reported for the substitution effects on 8π electrocyclisation of conjugated octatetraene. This systematic study describes the mono- and di-substitution effect across the 1,3,5,7-octatetraene skeleton. A general preference of the outward...

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Detalles Bibliográficos
Autores principales: Arfan, Nur Hazimah B. Z., Hamid, Malai Haniti S. A., Sheikh, Nadeem S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10587816/
https://www.ncbi.nlm.nih.gov/pubmed/37869396
http://dx.doi.org/10.1039/d3ra05127g

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10587816/
https://www.ncbi.nlm.nih.gov/pubmed/37869396
http://dx.doi.org/10.1039/d3ra05127g

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