Spin density distribution in radicals of nitrile derivatives
β Scribed by T. S. Zhuravleva; Ya. S. Lebedev'; V. F. Shuvalov
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1965
- Tongue
- English
- Weight
- 190 KB
- Volume
- 5
- Category
- Article
- ISSN
- 0022-4766
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π SIMILAR VOLUMES
The isotropic and anisotropic ESR spectra of dialkyl oxalate radical anions, including derivatives which were labelled with "C or "0 in the carbonyl and \*H or "C in the alkyl groups, were measured. The spin density distribution as determined from the experimental nuclear hyperfine coupling constant
A one-parameter relation between isotropic fluorine splitting and %electron spin density on attached carbon is shown to be adequate to explain the fluorine splittings in various fluorinated radical anions.
## Abstract A theoretical study of Οβelectron spin density distributions has been made for a series of fluoroβsubstituted hydrocarbon radical cations using unrestricted HartreeβFock theory. Although some of the predicted proton splittings are not in very good agreement with experiment, the overall