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The structure of phosphino and phosphoranyl radicals

✍ Scribed by A. Hudson; J.T. Wiffen


Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
300 KB
Volume
29
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES


The structure and hyperfine splittings o
✍ A. Hudson; R.F. Treweek πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science 🌐 English βš– 161 KB

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.

31P CIDNP in the reactions of phosphoran
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## 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.

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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.

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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

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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