## Abstract The spin densities of the radical anions from 4‐methylcatechol, 4‐carboxylic catechol, and 3‐methylcatechol were calculated by means of the INDO method with the geometrical parameter adjusting method. The observed protion hyperfine coupling constants were exactly reproduced.
Assignment of the hyperfine constants of the 1,2-benzosemiquinone radical anion: Comment on “INDO studies on the structure of benzosemiquinone radicals”
✍ Scribed by Jens Spanget-Larsen
- Publisher
- John Wiley and Sons
- Year
- 1980
- Tongue
- English
- Weight
- 163 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0020-7608
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The relative magnitudes and signs of the hyperfine coupling constants in the phenyl radical, wlculatcd by INDO, are explained by a combination of deioca!izdtion of electron spin density into the sigma framework and 3 modification of the exchange polarization effects commonly obxrved for n-type radic
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