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The 1 H NMR spectrum of pyrazole in a nematic phase
Author(s) -
Provasi Patricio,
Jimeno María Luisa,
Alkorta Ibon,
Reviriego Felipe,
Elguero José,
Jokisaari Jukka
Publication year - 2016
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.4422
Subject(s) - chemistry , liquid crystal , pyrazole , phase (matter) , nuclear magnetic resonance spectroscopy , spectrum (functional analysis) , nmr spectra database , proton nmr , crystallography , nuclear magnetic resonance , stereochemistry , spectral line , organic chemistry , condensed matter physics , physics , quantum mechanics , astronomy
The experimental 1 H nuclear magnetic resonance (NMR) spectrum of 1 H ‐pyrazole was recorded in thermotropic nematic liquid crystal N‐(p‐ethoxybenzylidene)‐p‐butylaniline (EBBA) within the temperature range of 299–308 K. Two of three observable dipolar D HH ‐couplings appeared to be equal at each temperature because of fast prototropic tautomerism. Analysis of the Saupe orientational order parameters using fixed geometry determined by computations and experimental dipolar couplings results in a situation in which the molecular orientation relative to the magnetic field (and the liquid crystal director) can be described exceptionally by a single parameter. Copyright © 2016 John Wiley & Sons, Ltd.