Complete 1H, 13C{1H}, and 31P NMR spectral parameters of some pyrophosphates |
| |
| Authors: | Esa Haapaniemi |
| |
| Institution: | Department of Organic Chemistry, University of Jyv?skyl?, Finland |
| |
| Abstract: | The 1H, 13C{1H}, and 31P NMR spectral parameters of some pyrophosphates were determined in CDCl3. The most complicated 1H spectrum can be solved fully only as (A3MN)R6XX′R6′(MNA3)′, where R6 (= ―N(CH3)2) is coupled only to phosphorus (X). Second‐order coupling between phosphorus was found and solved with iterative analysis. A signal shape of one of the carbon resonance cannot be explained only with couplings. Explanation for exceptional shape was searched from molecular modeling results. Copyright © 2017 John Wiley & Sons, Ltd. |
| |
| Keywords: | NMR 1H 13C{1H} 31P pyrophosphates iterative spectral analysis molecular modeling |
|
|
