Electrostatics Explains the Reverse Lewis Acidity of BH(3) and Boron Trihalides: Infrared Intensities and a Relative Energy Gradient (REG) Analysis of IQA Energies

[Image: see text] The reaction path for the formation of BX(3)–NH(3) (X = H, F, Cl, Br) complexes was divided into two processes: (i) rehybridization of the acid while adopting a pyramidal geometry, and (ii) the complex formation from the pyramidal geometries of the acid and base. The interacting qu...

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Detalles Bibliográficos
Autores principales: Duarte, Leonardo J., Richter, Wagner E., Bruns, Roy E., Popelier, Paul L. A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8503881/
https://www.ncbi.nlm.nih.gov/pubmed/34549960
http://dx.doi.org/10.1021/acs.jpca.1c05766

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8503881/
https://www.ncbi.nlm.nih.gov/pubmed/34549960
http://dx.doi.org/10.1021/acs.jpca.1c05766

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