✦ LIBER ✦
Self-consistent perturbation-INDO calculations of nuclear magnetic resonance carbon–carbon coupling constants for methylcycloalkanes
✍ Scribed by Michael Stöcker
- Publisher
- John Wiley and Sons
- Year
- 1981
- Tongue
- English
- Weight
- 209 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0749-1581
No coin nor oath required. For personal study only.
✦ Synopsis
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. Together with previously published experimental data, the results can be interpreted satisfactorily on the basis of the Walsh model for cyclopropane and the known s character relationship ^1^J(^13^C^13^C) = 575·s(i)· s(j).