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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2023
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| Materias: | |
| 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 |