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New Type of Halogen Bond: Multivalent Halogen Interacting with π- and σ-Electrons

MP2/aug-cc-pVTZ calculations were performed for complexes of BrF(3) and BrF(5) acting as Lewis acids through the bromine centre, with species playing a role of Lewis base: dihydrogen, acetylene, ethylene, and benzene. The molecular hydrogen donates electrons by its σ-bond, while in remaining moietie...

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Detalles Bibliográficos
Publicado en:Molecules
Autor Principal: Grabowski, Sławomir J.
Formato: Artigo
Idioma:Inglês
Publicado: MDPI 2017
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC6149982/
https://ncbi.nlm.nih.gov/pubmed/29206144
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules22122150
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