## Abstract A series of 7‐^13^C‐labeled __o__‐substituted toluene derivatives and carboxyl‐^13^C‐isocrotonic and crotonic acid were synthesized and studied by ^13^C NMR spectroscopy to obtain ^13^C^13^C spin‐spin coupling constants involving the labeled carbon. The __cis__ ^3^__J__(CC) values were
Vicinal 13C13C spin–spin coupling constants of 1-butanols. Conformational and substituent effects
✍ Scribed by James L. Marshall; Shareen A. Conn; Michael Barfield
- Publisher
- John Wiley and Sons
- Year
- 1977
- Tongue
- English
- Weight
- 376 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
Abstract
A series of (>90% isotopic purity) ^13^C‐labeled aliphatic alcohols of the general structure CCC^13^COH were synthesized and studied by ^13^C n.m.r. to obtain all ^13^C^13^C couplings involving the labeled carbon. The ^2^J(CC) values were small (<0.5 Hz) and contrast with the large (up to 2.7 Hz) ^2^J(CC) values obtained in a previous study for 2‐butanols. The ^3^J(CC) values, however, were strikingly similar in the two classes of compounds with respect both to magnitude and to conformational dependency. Thus, the effect of the hydroxyl substituent on ^3^J(CC) values is small.
📜 SIMILAR VOLUMES
## Abstract A series of alicyclic compounds with dihedral angles of 0°, 60°, 90°, 120° and 180° between a ^13^C‐labelled carbon atom and a carbon atom separated by three bonds from the label has been synthesized. The vicinal ^13^C^13^C spin coupling constants were measured, and from the results a K
## Abstract The ^13^C^13^C spin–spin coupling constants in natural abundance oxetane, thietane, cyclobutanone, bromo‐and chlorocyclobutane have been measured. Furthermore, the ^13^C isotope‐induced changes in the chemical shifts of the different ^13^C nuclei in the molecules mentioned above are re
## Abstract ^13^C, ^1^H spin coupling constants of dimethylacetylene have been determined by the complete analysis of the proton coupled ^13^C NMR spectrum. For the methyl carbon ^1^__J__(CH) = + 130.6~4~ Hz and ^4^__J__(CH) = + 1.5~8~ Hz, and for the acetylenic carbon ^2^__J__(CH) = − 10.34 Hz and
Theoretical calculations performed using the coupled Hartree-Fock perturbation theory (CHFPT) show that the MNDO approximation is superior to INDO and MIND03 in computing nuclear spin coupling constants between directly bonded carbon and hydrogen in polysubstituted methanes, HCXYZ. The CHFPT-MNDO pr