期刊
MAGNETIC RESONANCE IN CHEMISTRY
卷 55, 期 9, 页码 804-812出版社
WILEY
DOI: 10.1002/mrc.4590
关键词
NMR; H-1; C-13{H-1}; P-31; pyrophosphates; iterative spectral analysis; molecular modeling
The H-1, C-13{H-1}, and P-31 NMR spectral parameters of some pyrophosphates were determined in CDCl3. The most complicated H-1 spectrum can be solved fully only as (A(3)MN)R6XXR6(MNA(3)), where R-6 (= ?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 (c) 2017 John Wiley & Sons, Ltd.
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