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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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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149982/ https://www.ncbi.nlm.nih.gov/pubmed/29206144 http://dx.doi.org/10.3390/molecules22122150 |