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

被引:8
|
作者
Benko, Zoltan [2 ]
Gudat, Dietrich [1 ]
Nyulaszi, Laszlo [2 ]
机构
[1] Univ Stuttgart, Inst Inorgan Chem, D-70569 Stuttgart, Germany
[2] Budapest Univ Technol & Econ, Dept Inorgan & Analyt Chem, H-1111 Budapest, Hungary
关键词
aromaticity; density functional calculations; dissociation; N-donor ligands; phosphinidene;
D O I
10.1002/chem.200701077
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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.
引用
收藏
页码:902 / 908
页数:7
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