The additivity of NMR carbon–carbon spin–spin coupling constants
✍ Scribed by James L. Marshall; Larry G. Faehl; Richard Kattner
- Publisher
- John Wiley and Sons
- Year
- 1979
- Tongue
- English
- Weight
- 594 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0749-1581
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
Fluorene‐9‐^13^C, fluorenone‐9‐^13^C, acenaphthenone‐11‐^13^C, acenaphthenone‐12‐^13^C, 1‐methylcyclopentanol‐1‐^13^C and 1‐methylcyclopentene‐1‐^13^C were synthesized to obtain J(CC) values between the natural carbons and the labeled carbons. Each of these compounds possessed at least one asymmetric dual‐path coupling, i.e., coupling between the labeled carbon and another carbon via simultaneous two‐ and three‐bonded coupling paths. Model ^13^C‐labeled compounds were synthesized where necessary to give expected values of the constituent mono‐path couplings. Values of these dual‐path couplings (^2+3^)J suggested that the observed value is the (at least approximate) algebraic sum of the two constituent J values.
📜 SIMILAR VOLUMES
## Abstract A summary of all the one‐bond carbon–carbon spin–spin coupling constants, Known up to the beginning of 1980, is given in diagrammatic form.
## Abstract Sum‐over‐states perturbation and self‐consistent perturbation calculations of ^__n__^__J__(CC) using standard INDO parameters are discussed. Calculated values of ^1^__J__(OC) for acetone are reported. In general it seems that the sum‐over‐states calculations are the more reliable. The i