Comments on the structures of phosphoranyl radicals
β Scribed by Brian P. Roberts
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- French
- Weight
- 276 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0040-4039
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The ab initio UHF method has been employed to calculate equilibrium geometries and isotopic hype&&e coupling ccnstantsfor the radicals PHI, PFa, PH4 and PF4.
## Abstract The polarisation of phosphorus nuclei (^31^P CIDNP) during the free radical reactions of triakyl and triaryl phosphites proceeding via intermediate phosphoranyl radicals is discussed.
The equilibrium geometries and spin density distributions for some phosphoranyl radicals and the radical anion PH30were calculated by the UHF CNDO/2 method. Barriers to permuhtional isomerization in PFQ and PHsOH were estirxted.
The crystal structure of 1,2-phenylene phosphorochloridate has been determined. X-Ray irradiation of these crystals, at low temperature, leads to the formation of a radical exhibiting hyperfine structure with P and CI nuclei. The corresponding ESR tensors are obtained, and they show that this radica
Barrier heights for P-C bond homolysis in P-hydroxy-P-methyl-P,P-dioxophosphoranyl and P,P,Ptrihydroxy-P-methylphosphoranyl were calculated using well correlated levels of electronic structure theory. The best estimate for the difference in barriers between the two indicates that homolysis is more f