Artículo

The 1H NMR spectrum of pyrazole in a nematic phase

Provasi, Patricio FedericoIcon ; Jimeno, María Luisa; Alkorta, Ibon; Reviriego, Felipe; Elguero, José; Jokisaarid, Jukka
Fecha de publicación: 03/2016
Editorial: John Wiley & Sons Ltd
Revista: Magnetic Resonance In Chemistry
ISSN: 0749-1581
e-ISSN: 1097-458X
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

Resumen

The experimental 1H 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
Palabras clave: D Couplings , 1h-Pyrazole , Dft Calculations , Tautomerism , Orientational Order
 
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info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/17618
URL: http://onlinelibrary.wiley.com/doi/10.1002/mrc.4422/abstract
DOI: http://dx.doi.org/10.1002/mrc.4422
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Articulos(IMIT)
Articulos de INST.DE MODELADO E INNOVACION TECNOLOGICA
Citación
Provasi, Patricio Federico; Jimeno, María Luisa; Alkorta, Ibon; Reviriego, Felipe; Elguero, José; et al.; The 1H NMR spectrum of pyrazole in a nematic phase; John Wiley & Sons Ltd; Magnetic Resonance In Chemistry; 54; 8; 3-2016; 637-640
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