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Investigation of hydrogen‐bonded compounds using high‐resolution NMR spectroscopy in solids. Part 3 — 1 H chemical shifts in polycrystalline trihydrogen selenites
Author(s) -
Rosenberger H.,
Scheler G.,
Moskvich Yu. N.
Publication year - 1989
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.1260270109
Subject(s) - chemistry , chemical shift , deuterium nmr , deuterium , carbon 13 nmr satellite , crystallite , spectral line , hydrogen bond , resolution (logic) , nuclear magnetic resonance spectroscopy , coupling constant , high resolution , analytical chemistry (journal) , crystallography , pulse sequence , hydrogen , spectroscopy , nmr spectra database , nuclear magnetic resonance , magic angle spinning , molecule , atomic physics , fluorine 19 nmr , stereochemistry , physics , remote sensing , artificial intelligence , particle physics , computer science , quantum mechanics , organic chemistry , astronomy , geology , chromatography
1 H high‐resolution NMR spectra of polycrystalline alkali trihydrogen selenites were measured at 270 MHz using the combination of a multiple‐pulse sequence and magic angle sample spinning. Good resolution of the separate 1 H NMR lines belonging to different hydrogen bonds in these crystals was obtained. Correlations between the measured average values of the chemical shift tensor and the parameters characterizing hydrogen bond [ R (O…O) and R (H…O)] distances and the deuteron quadrupolar coupling constant e 2 qQ / h are presented. These correlations are found to be linear, with high correlation coefficients for the ordered protons. The possibilities of designating disordered protons on finding large deviations from the correlations for ordered protons are discussed.