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Complete 1 H, 13 C{ 1 H}, and 31 P NMR spectral parameters of some pyrophosphates
Author(s) -
Haapaniemi Esa
Publication year - 2017
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.4590
Subject(s) - chemistry , resonance (particle physics) , phosphorus 31 nmr spectroscopy , coupling (piping) , nuclear magnetic resonance spectroscopy , phosphorus , carbon 13 , nmr spectra database , spectral line , analytical chemistry (journal) , crystallography , nuclear magnetic resonance , stereochemistry , physics , atomic physics , nuclear physics , organic chemistry , mechanical engineering , astronomy , engineering
The 1 H, 13 C{ 1 H}, and 31 P NMR spectral parameters of some pyrophosphates were determined in CDCl 3 . The most complicated 1 H spectrum can be solved fully only as (A 3 MN)R 6 XX′R 6 ′(MNA 3 )′, where R 6 (= ―N(CH 3 ) 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.