The structure and hyperfine splittings of simple phosphoranyl radicals
โ Scribed by A. Hudson; R.F. Treweek
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 161 KB
- Volume
- 39
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
โฆ Synopsis
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.
๐ SIMILAR VOLUMES
The 29Si satellites were observed in the EPR spectra of 3-trimethylsilylprop-2-yny1, 1-trimethylsiloxyprop-2-ynyl and trimethylsiloxymethyl radicals. Comparison of the experimental values with spin densities calculated by semi-empirical MO methods led to a value of 810 G for Qsi. The magnitude and p
TheaN and a;H hyperfine splitting constants of pyridinyl are poorly reproduced by INDO molecular orbital calculations if assuming a planar geometry for the radical. A much better agreement with experiment has been found by evaluating: these constants from vibronic ~avef~n~tions even though at a ~mjq
## 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.