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Orientational order of solutes in liquid crystals: The effect of distributed electric quadrupoles

TitleOrientational order of solutes in liquid crystals: The effect of distributed electric quadrupoles
Publication TypeJournal Article
Year of Publication2008
AuthorsLee, JSJ, Sokolovskii, RO, Berardi, R, Zannoni, C, Burnell, EE
JournalChemical Physics Letters
Volume454
Pagination56-60
Date PublishedMar
ISBN Number0009-2614
Abstract

We perform Monte Carlo simulations of a mixture of soft ellipsoids with embedded quadrupoles as a model of various small molecules dissolved in nematic liquid crystals. We find that Gay-Berne ellipsoids with distributed embedded quadrupoles qualitatively reproduce the trend in the order parameters observed experimentally in NMR spectra. In contrast, ellipsoids with a single embedded quadrupole cannot reproduce the negative order parameter of acetylene in EBBA. (c) 2008 Elsevier B.V. All rights reserved.

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