Relativistic Effects on NMR Parameters of Halogen-Bonded Complexes

Relativistic effects are found to be important for the estimation of NMR parameters in halogen-bonded complexes, mainly when they involve the heavier elements, iodine and astatine. A detailed study of 60 binary complexes formed between dihalogen molecules (XY with X, Y = F, Cl, Br, I and At) and fou...

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Detalles Bibliográficos
Autores principales: Alkorta, Ibon, Elguero, José, Yáñez, Manuel, Mó, Otilia, Montero-Campillo, M. Merced
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6930553/
https://www.ncbi.nlm.nih.gov/pubmed/31810199
http://dx.doi.org/10.3390/molecules24234399

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6930553/
https://www.ncbi.nlm.nih.gov/pubmed/31810199
http://dx.doi.org/10.3390/molecules24234399

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