Semi empirical calculations of the spin density distributions in some nitro substituted, conjugated anions
โ Scribed by A. Hinchliffe
- Publisher
- Springer
- Year
- 1966
- Tongue
- English
- Weight
- 213 KB
- Volume
- 5
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## Abstract The additivity model as suggested by Moss et al. has been used for predicting spin densities in methylโsubstituted radical anions. Linderberg's relation has been employed for evaluating the coreโresonance integrals (ฮฒ~__rs__~) and a heteroatom model for the methyl group has been used.
EPR and ENDOR spectra were recorded for 2-methyl-9,lO-anthraquinone (tmethylAQ), 2-ethylAQ, 2-tert-butylAQ and 2,fdimethylAQ anion radicals in the solution phase. The EPR spectra were simulated with the help of ENDOR data. The experimental isotropic hyperfine coupling constants (IHFCs) were compared