Vibrational, electronic, spectroscopic properties, and NBO analysis of p-xylene, 3,6-difluoro-p-xylene, 3,6-dichloro-p-xylene and 3,6-dibromo-pxylene: DFT study

This study explains the vibration and interaction of p-xylene and effect of three elements (fluorine, chlorine and bromine) of the halogen family substitution on it. Basic chemistry of four, compounds p-xylene (PX); 3,6-diflouro-p-xylene (DFPX); 3,6-dichloro-p-xylene (DCPX) and 3,6-dibromo-p-xylene...

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Detalles Bibliográficos
Autores principales: Bisong, Emmanuel A., Louis, Hitler, Unimuke, Tomsmith O., Odey, Joseph O., Ubana, Emmanuel I., Edim, Moses M., Tizhe, Fidelis Timothy, Agwupuye, John A., Utsu, Patrick M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7772552/
https://www.ncbi.nlm.nih.gov/pubmed/33385089
http://dx.doi.org/10.1016/j.heliyon.2020.e05783

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