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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 BrF3 and BrF5 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 moieties—in...

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Autor principal: Sławomir J. Grabowski
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI AG 2017-12-01
coleção:Molecules
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Acesso em linha:https://www.mdpi.com/1420-3049/22/12/2150
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