The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling

The halogen bond complexes CF [Formula: see text] X⋯Y and C [Formula: see text] F [Formula: see text] X⋯Y, with Y = furan, thiophene, selenophene and X = Cl, Br, I, have been studied by using DFT and CCSD(T) in order to understand which factors govern the interaction between the halogen atom X and t...

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Detalles Bibliográficos
Autores principales: Cunha, Ana V., Havenith, Remco W. A., van Gog, Jari, De Vleeschouwer, Freija, De Proft, Frank, Herrebout, Wouter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9865902/
https://www.ncbi.nlm.nih.gov/pubmed/36677828
http://dx.doi.org/10.3390/molecules28020772

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9865902/
https://www.ncbi.nlm.nih.gov/pubmed/36677828
http://dx.doi.org/10.3390/molecules28020772

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