13C chemical shift anisotorpy and the H–C–H bond angle of 13CH3 OH in a nematic liquid crystal solvent
- 1 October 1973
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 59 (7), 3737-3739
- https://doi.org/10.1063/1.1680544
Abstract
A pulsed FT NMR spectrometer is used to determine the anisotropy in the carbon‐13 chemical shift tensor and the H–C–H bond angle in methyl alcohol from studies in a nematic liquid crystal solvent. The H–C–H bond angle measured by proton magnetic resonance is 109 ° 20′ ± 4′. The signs of the coupling constants D13CH, DHH, and J13CH and the ordering parameter S33 are established to be all positive. The value of Δσ (13C) obtained from temperature studies of the nematic phase chemical shift is 69 ± 5 ppm. The anisotropy obtained from the nematic—isotropic phase chemical shift difference (at 77 °C) is 63 ± 6 ppm.Keywords
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