Intrinsic Dynamic and Static Nature of Halogen Bonding in Neutral Polybromine Clusters, with the Structural Feature Elucidated by QTAIM Dual-Functional Analysis and MO Calculations

The intrinsic dynamic and static nature of noncovalent Br-∗-Br interactions in neutral polybromine clusters is elucidated for Br(4)–Br(12), applying QTAIM dual-functional analysis (QTAIM-DFA). The asterisk (∗) emphasizes the existence of the bond critical point (BCP) on the interaction in question....

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Detalles Bibliográficos
Autores principales: Hayashi, Satoko, Nishide, Taro, Tanaka, Eiichiro, Nakanishi, Waro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8157170/
https://www.ncbi.nlm.nih.gov/pubmed/34069291
http://dx.doi.org/10.3390/molecules26102936

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8157170/
https://www.ncbi.nlm.nih.gov/pubmed/34069291
http://dx.doi.org/10.3390/molecules26102936

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