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The r α ‐structure and the 1 H and 199 Hg shielding anisotropies of dimethylmercury as determined in nematic and smectic liquid crystal solvents
Author(s) -
Jokisaari J.,
Diehl P.
Publication year - 1980
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270130513
Subject(s) - liquid crystal , anisotropy , chemistry , coupling constant , dipole , crystal (programming language) , spectral line , analytical chemistry (journal) , electromagnetic shielding , perpendicular , solvent , crystallography , coupling (piping) , molecular physics , condensed matter physics , materials science , optics , physics , organic chemistry , geometry , mathematics , particle physics , astronomy , computer science , composite material , programming language , metallurgy
The complete r α ‐structure of dimethylmercury in the nematic ZLI 1167 liquid crystal was determined. This study confirms the earlier results, indicating that the structure is practically independent of the liquid crystal solvent, although some minor deviations exist. The HgC distance was found to be 207.97±0.05 pm, when the vibration corrections in the dipole‐dipole coupling constants were taken into account. This is rather similar to the distances obtained with other spectroscopic methods. The anisotropies of the 1 H and 199 Hg chemical shifts were obtained by using a smectic liquid crystal and recording the corresponding spectra, the optical axis being parallel with or perpendicular to the external field direction. The experimental ratio‐2.007±0.017 of the D∥ (HgH) and D⟂ (HgH) coupling constants proves that the indirect contributions in these coupling constants are negligible. Shielding anisotropies of 3.70±0.3 ppm and 7325±55 ppm for 1 H and 199 Hg, respectively, were obtained.