A promising method for phosphinidene generation: complexes of phosphinidenes with N-donor ligands.
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.
Benkõ
Zoltán
Z
Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, Szent Gellért tér 4, 1111 Budapest, Hungary.
Gudat
Dietrich
D
Nyulászi
László
L
D007700:Kinetics; D008024:Ligands; D008956:Models, Chemical; D015394:Molecular Structure; D009943:Organophosphorus Compounds / Q000138:chemical synthesis* / Q000737:chemistry; D010720:Phosphines / Q000138:chemical synthesis* / Q000737:chemistry; D013816:Thermodynamics
D008024:Ligands; D009943:Organophosphorus Compounds; D010720:Phosphines