## 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.
INDO study of bent radical anions
✍ Scribed by Eric Westhof; Adolf Müller
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 335 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
INl?O method ha; been used to calc.Me the !k and p-proton coupling constants of some c-aboxyl akon radicak.. 'It is concludti that the deviation from piacuity in U~ese r&c& is approximately 6O. It is proposed that these radicals con-
📜 SIMILAR VOLUMES
INUO spin density calculations have been carried out for 9,10-dihydro-and for 1,2,3,4\_tetrahydrophenanthrene and for the corresponding anthracenes Some new assignments are proposed.
Multiple resonance spcclra were oblained from lhe radical anion or perfluoro4.4'-bipyridyl in lelrahqdrofuran witi polassium as counlerion Fluorine absorptions were observed in lhe ENDOR speclrum with hyperfine wupling ~nslanl~ of 0.596 and 0.105 mT\_ A general TRIPLE experiment showed lhem lo be op