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Heavy atom solid‐state NMR. Mercury‐199 spectral simulation and effects of off‐magic angle spinning
Author(s) -
Groombridge Christopher J.
Publication year - 1993
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.1260310414
Subject(s) - chemistry , mercury (programming language) , magic angle spinning , anisotropy , nmr spectra database , sideband , magic angle , spectral line , solid state nuclear magnetic resonance , asymmetry , spinning , analytical chemistry (journal) , nuclear magnetic resonance spectroscopy , chemical shift , carbon 13 nmr , solid state , nuclear magnetic resonance , stereochemistry , physics , organic chemistry , optics , quantum mechanics , computer science , microwave , polymer chemistry , programming language
The effects of small deviations from the magic angle on 199 Hg solid‐state NMR spectra with large chemical shift anisotropy are shown by computation and illustrated with spectra of mercury(II) acetate. These are shown to give the false appearance of multiple species, and place great importance on very precise angle setting (much better than ± 0.1°) for heavy atom solid‐state NMR. Chemical shift tensor principal components have been derived from spinning sideband analysis, and the difficulties of this are discussed; revised values for the anisotropy and asymmetry of mercury(II) acetate are −1732 ppm and 0.08, respectively. 199 Hg spectra are also given for mercury(II) lactate and citrate.