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RESEARCH PRODUCT
Complete 1H, 13C{1H}, and 31P NMR Spectral Parameters of Some Pyrophosphates
Esa Haapaniemisubject
molecular modelingpyrophosphatesiterative spectral analysisNMRnuclear magnetic resonance spectroscopydescription
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. peerReviewed
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2017-01-01 |