Examining a Transition from Supramolecular Halogen Bonding to Covalent Bonds: Topological Analysis of Electron Densities and Energies in the Complexes of Bromosubstituted Electrophiles

[Image: see text] The transition from weak (noncovalent) interactions to fully developed covalent bonds is examined using the quantum theory of atoms in molecules in a series of halogen-bonded (XB) complexes of bromosubstituted electrophiles, RBr, with 1,4-diazabicyclo[2.2.2]octane (DABCO) and Cl(–)...

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Detalles Bibliográficos
Autores principales: Miller, Daniel K., Loy, Cody, Rosokha, Sergiy V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8444318/
https://www.ncbi.nlm.nih.gov/pubmed/34549156
http://dx.doi.org/10.1021/acsomega.1c03779

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8444318/
https://www.ncbi.nlm.nih.gov/pubmed/34549156
http://dx.doi.org/10.1021/acsomega.1c03779

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