A promising method for phosphinidene generation: Complexes of phosphinidenes with N-donor ligands

Zoltán Benkõ, Dietrich Gudat, László Nyulászi

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

1,3,2-diazaphospholenes and related compounds can formally be regarded as complexes of phosphinidenes (R-P) with 1,4-diazabutadienes. The dissociation Gibbs free energies of these "complexes" were calculated by using density functional theory (B3LYP/3-21G(*) and B3LYP/6-311+G**) . The dissociation Gibbs free energies show systematic dependence on the phosphorus substituent as well as on the stability of the N-donor ligand formed as a byproduct. The thermodynamics and kinetics of the dissociations were thoroughly examined. The results allow us to conclude that novel routes of phosphinidene generation can be developed.

Original languageEnglish
Pages (from-to)902-908
Number of pages7
JournalChemistry - A European Journal
Volume14
Issue number3
DOIs
Publication statusPublished - Feb 8 2008

Keywords

  • Aromaticity
  • Density functional calculations
  • Dissociation
  • N-donor ligands
  • Phosphinidene

ASJC Scopus subject areas

  • Catalysis
  • Organic Chemistry

Fingerprint Dive into the research topics of 'A promising method for phosphinidene generation: Complexes of phosphinidenes with N-donor ligands'. Together they form a unique fingerprint.

  • Cite this