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Title

Thermodynamic and hydrogen-bond basicity of phosphine oxides: Effect of the ring strain

AuthorsTrujillo, C.; Sánchez-Sanz, Goar; Alkorta, Ibon ; Elguero, José
Issue Date2012
CitationComputational and Theoretical Chemistry 994: 81- 90 (2012)
AbstractA theoretical study of acidity and hydrogen bond acceptor properties of tetrahedric phosphine oxide derivatives have been carried out by means of MP2 computational methods. The results obtained for the mentioned complexes have been compared with the analogous ones of trimethylphosphine oxide. The strain decreases the complexation energy with metallic atoms as well as the thermodynamic and hydrogen bond acceptor (HBA) ability of the tetrahedric derivatives. © 2012 Elsevier B.V.
Publisher version (URL)http://dx.doi.org/10.1016/j.comptc.2012.06.019
URIhttp://hdl.handle.net/10261/63782
DOI10.1016/j.comptc.2012.06.019
Identifiersdoi: 10.1016/j.comptc.2012.06.019
issn: 2210-271X
Appears in Collections:(IQM) Artículos
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