Dynamic and Static Nature of Br(4)σ(4c–6e) and Se(2)Br(5)σ(7c–10e) in the Selenanthrene System and Related Species Elucidated by QTAIM Dual Functional Analysis with QC Calculations

The nature of Br(4)σ(4c–6e) of the (B)Br-∗-(A)Br-∗-(A)Br-∗-(B)Br form is elucidated for SeC(12)H(8)(Br)SeBr---Br-Br---BrSe(Br)C(12)H(8)Se, the selenanthrene system, and the models with QTAIM dual functional analysis (QTAIM-DFA). Asterisks (∗) are employed to emphasize the existence of bond critical...

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Detalles Bibliográficos
Autores principales: Hayashi, Satoko, Nishide, Taro, Nakanishi, Waro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi 2020
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7396019/
https://www.ncbi.nlm.nih.gov/pubmed/32774351
http://dx.doi.org/10.1155/2020/2901439

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7396019/
https://www.ncbi.nlm.nih.gov/pubmed/32774351
http://dx.doi.org/10.1155/2020/2901439

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