On the Lewis Basicity of Phosphoramides: A Critical Examination of Their Donor Number through Comparison of Enthalpies of Adduct Formation with SbCl5 and BF3

The Lewis basicity of a series of phosphoryl compounds was examined using DFT and ab initio methods, including solvation effects. The enthalpies of adduct formation with two archetypal Lewis acids, antimony pentachloride and boron trifluoride, used to define the donor number DN and the BF3 affinity...

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Veröffentlicht in:	Chemphyschem 2019-10, Vol.20 (19), p.2566-2576
Hauptverfasser:	Gal, Jean‐François, Maria, Pierre‐Charles, Yáñez, Manuel, Mó, Otilia
Format:	Artikel
Sprache:	eng
Schlagworte:	ab initio calculations Adducts Affinity Antimony antimony pentachloride Basicity Boron boron trifluoride Computational chemistry Continuum modeling donor-acceptor systems Enthalpy Formalism Lewis bases Solvation
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