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

authors

  • TRUJILLO DEL VALLE, CRISTINA
  • SANCHEZ SANZ, GOAR
  • ALKORTA, IBON
  • ELGUERO, JOSE

publication date

  • August 2012

start page

  • 81

end page

  • 90

volume

  • 994

International Standard Serial Number (ISSN)

  • 2210-271X

Electronic International Standard Serial Number (EISSN)

  • 1872-7999

abstract

  • A 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.