The Chemical Bond: When Atom Size Instead of Electronegativity Difference Determines Trend in Bond Strength

We have quantum chemically analyzed element−element bonds of archetypal H(n)X−YH(n) molecules (X, Y=C, N, O, F, Si, P, S, Cl, Br, I), using density functional theory. One purpose is to obtain a set of consistent homolytic bond dissociation energies (BDE) for establishing accurate trends across the p...

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Detalles Bibliográficos
Autores principales: Blokker, Eva, Sun, Xiaobo, Poater, Jordi, van der Schuur, J. Martijn, Hamlin, Trevor A., Bickelhaupt, F. Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2021
Materias:
Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9298008/
https://www.ncbi.nlm.nih.gov/pubmed/34609774
http://dx.doi.org/10.1002/chem.202103544

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9298008/
https://www.ncbi.nlm.nih.gov/pubmed/34609774
http://dx.doi.org/10.1002/chem.202103544

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