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Chemistry. 2008;14(3):902-8.

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

Author information

1
Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, Szent Gellért tér 4, 1111 Budapest, Hungary.

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.

PMID:
17955507
DOI:
10.1002/chem.200701077
[Indexed for MEDLINE]

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