## Abstract One bond ^13^C,^13^C coupling constants have been calculated for some methylcycloalkanes, as well as for 2‐methylbutane, using the self‐consistent perturbation theory as formulated by Blizzard and Santry at the INDO (intermediate neglect of differential overlap) level of approximation.
An indo investigation of magnetic resonance constants of azaaromatic systems
✍ Scribed by V. Galasso
- Publisher
- John Wiley and Sons
- Year
- 1974
- Tongue
- English
- Weight
- 281 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0749-1581
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
INDO–MO calculations have been performed on the ESR hyperfine coupling constants of the pyridinyl radical and the radical anions of pyrimidine, quinoline, isoquinoline, acridine and benzcinnoline. The nuclear spin coupling constants and the ^14^N nuclear quadrupole coupling constant of pyridine have also been calculated. In general, calculated values are in satisfactory agreement with the experimental data.
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