title: The (1) H NMR spectrum of pyrazole in a nematic phase.
abstract: The experimental (1) H nuclear magnetic resonance (NMR) spectrum of 1H-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 DHH -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.
authors.affiliation: Physics Department, University of Northeast, Av. Libertad 5500, W 3404 AAS, Corrientes, Argentina.
authors.forename: Patricio
authors.initials: P
authors.lastname: Provasi
authors.affiliation: CENQUIOR (CSIC), Juan de la Cierva, 3, E-28006, Madrid, Spain.
authors.forename: María Luisa
authors.initials: ML
authors.lastname: Jimeno
authors.affiliation: Instituto de Química Médica (CSIC), Juan de la Cierva, 3, E-28006, Madrid, Spain.
authors.forename: Ibon
authors.initials: I
authors.lastname: Alkorta
authors.affiliation: Instituto de Química Médica (CSIC), Juan de la Cierva, 3, E-28006, Madrid, Spain.
authors.forename: Felipe
authors.initials: F
authors.lastname: Reviriego
authors.affiliation: Instituto de Química Médica (CSIC), Juan de la Cierva, 3, E-28006, Madrid, Spain.
authors.forename: José
authors.initials: J
authors.lastname: Elguero
authors.affiliation: NMR Research Group, University of Oulu, 90014, Oulu, Finland.
authors.forename: Jukka
authors.initials: J
authors.lastname: Jokisaari
keywords: 1H-pyrazole; D couplings; DFT calculations; orientational order; tautomerism