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RESEARCH PRODUCT

Complete1H,13C{1H}, and31P NMR spectral parameters of some pyrophosphates

Esa Haapaniemi

subject

CouplingMolecular modelPhosphorus010401 analytical chemistrySpectrum (functional analysis)Analytical chemistryResonancechemistry.chemical_elementGeneral Chemistry030226 pharmacology & pharmacy01 natural sciences0104 chemical sciences03 medical and health sciences0302 clinical medicinechemistryIterative analysisGeneral Materials Science

description

The 1 H, 13 C{1 H}, and 31 P NMR spectral parameters of some pyrophosphates were determined in CDCl3 . The most complicated 1 H spectrum can be solved fully only as (A3 MN)R6 XX'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.

yearjournalcountryeditionlanguage
2017-03-21Magnetic Resonance in Chemistry
https://doi.org/10.1002/mrc.4590