Nature of intramolecular O–H⋯π interactions as elucidated by QTAIM dual functional analysis with QC calculations

The intrinsic dynamic and static nature of intramolecular OH–*–π interactions is elucidated using a QTAIM dual functional analysis (QTAIM-DFA) after clarifying the structural features. Asterisks (*) are employed to emphasize the presence of bond critical points (BCPs) on the bond paths (BPs), which...

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Detalles Bibliográficos
Autores principales: Hayashi, Satoko, Nishide, Taro, Nakanishi, Waro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9064312/
https://www.ncbi.nlm.nih.gov/pubmed/35514837
http://dx.doi.org/10.1039/c9ra01788g

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9064312/
https://www.ncbi.nlm.nih.gov/pubmed/35514837
http://dx.doi.org/10.1039/c9ra01788g

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