Persilylated Phosphoranyl Radicals: The First Persistent Noncyclic Phosphoranyl Radicals
โ Scribed by Yves Berchadsky; Christiane Bernard-Henriet; Jean-Pierre Finet; Robert Lauricella; Sylvain R. A. Marque; Paul Tordo
- Publisher
- John Wiley and Sons
- Year
- 2006
- Tongue
- English
- Weight
- 309 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0947-6539
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๐ SIMILAR VOLUMES
## 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 ab initio UHF method has been employed to calculate equilibrium geometries and isotopic hype&&e coupling ccnstantsfor the radicals PHI, PFa, PH4 and PF4.
High-level, correlated electronic structure calculations on H,PS-and HsPSH indicate these two radicals to adopt trigonal bipyramidal geometries in which the unpaired electron is localized equatorially, although for the neutral species only the equatorially oriented mercaptan is stable to P-S bond ho
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.