Behaviour of the XH-*-π and YX-*-π interactions (X, Y = F, Cl, Br and I) in the coronene π-system, as elucidated by QTAIM dual functional analysis with QC calculations

The dynamic and static nature of XH-*-π and YX-*-π in the coronene π-system (π(C(24)H(12))) is elucidated by QTAIM dual functional analysis, where * emphasizes the presence of bond critical points (BCPs) in the interactions. The nature of the interactions is elucidated by analysing the plots of the...

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Detalles Bibliográficos
Autores principales: Hayashi, Satoko, Sugibayashi, Yuji, Nakanishi, Waro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9080335/
https://www.ncbi.nlm.nih.gov/pubmed/35542236
http://dx.doi.org/10.1039/c8ra01862f

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9080335/
https://www.ncbi.nlm.nih.gov/pubmed/35542236
http://dx.doi.org/10.1039/c8ra01862f

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