✦ LIBER ✦
Prediction of Anti and gauche vicinal proton-proton coupling constants for hexapyranose rings using a generalized karplus equation
✍ Scribed by C. A. G. Haasnoot; F. A. A. M. De Leeuw; C. Altona
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 2010
- Weight
- 409 KB
- Volume
- 89
- Category
- Article
- ISSN
- 0037-9646
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
A new coupling constant ‐ torsion angle relation for the three‐bond ^1^H‐^1^H spin‐spin coupling constants is utilized to explore the effect of endocyclic and exocyclic oxygen atoms on Jae, Jee and Jaa in hexapyranoid systems. Attention is paid to common stereochemical surroundings rather than to individual compounds. It is shown that a simplified model for the flattened six‐membered ring, incorporating a constant geometry irrespective of the location of the coupled protons, correctly reproduces all the main trends observed.