Dynamic and Static Nature of XH-∗-π and YX-∗-π (X = F, Cl, Br, and I; Y = X and F) in the Distorted π-System of Corannulene Elucidated with QTAIM Dual Functional Analysis

The dynamic and static nature of the XH-∗-π and YX-∗-π (X = F, Cl, Br, and I; Y = X and F) interactions in the distorted π-system of corannulene (π(C(20)H(10))) is elucidated with a QTAIM dual functional analysis (QTAIM-DFA), where asterisks emphasize the presence of bond critical points (BCPs) on t...

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Detalles Bibliográficos
Autores principales: Hayashi, Satoko, Kato, Takahiro, Sugibayashi, Yuji, Nakanishi, Waro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10222803/
https://www.ncbi.nlm.nih.gov/pubmed/37241959
http://dx.doi.org/10.3390/molecules28104219

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10222803/
https://www.ncbi.nlm.nih.gov/pubmed/37241959
http://dx.doi.org/10.3390/molecules28104219

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