Alignment of 17O-enriched water-endofullerenes H2O@C60 in a liquid crystal matrix
Alignment of 17O-enriched water-endofullerenes H2O@C60 in a liquid crystal matrix
We present a 17O and 1H NMR study of molecular endofullerene H2O@C60 dissolved in the nematic liquid crystal N-(4-methoxybenzylidene)-4-butylaniline (MBBA). The 17O NMR peak is split into five components by the 17O residual quadrupolar coupling, each of which is split into a triplet by the 1H–17O residual dipolar coupling and scalar coupling. The splittings are analysed in terms of the partial alignment of the encapsulated water molecules. Order parameters describing the alignment are estimated. It is found that the preferential orientation of the endohedral water molecule has the molecular plane perpendicular to the liquid crystal director.
517-532
Kouril, Karel
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Meier, Benno
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Alom, Shamim
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Whitby, Richard J.
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Levitt, Malcolm H.
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Kouril, Karel
75bde80c-90bd-49c4-8b89-ec1a7b39363a
Meier, Benno
ed19bfd6-3347-43f1-9e1a-06e6586ee4d1
Alom, Shamim
f6b56fb1-7f94-432a-87cd-887f6e5d9f64
Whitby, Richard J.
45632236-ab00-4ad0-a02d-6209043e818b
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Kouril, Karel, Meier, Benno, Alom, Shamim, Whitby, Richard J. and Levitt, Malcolm H.
(2018)
Alignment of 17O-enriched water-endofullerenes H2O@C60 in a liquid crystal matrix.
Faraday Discussions, 212, .
(doi:10.1039/C8FD00095F).
Abstract
We present a 17O and 1H NMR study of molecular endofullerene H2O@C60 dissolved in the nematic liquid crystal N-(4-methoxybenzylidene)-4-butylaniline (MBBA). The 17O NMR peak is split into five components by the 17O residual quadrupolar coupling, each of which is split into a triplet by the 1H–17O residual dipolar coupling and scalar coupling. The splittings are analysed in terms of the partial alignment of the encapsulated water molecules. Order parameters describing the alignment are estimated. It is found that the preferential orientation of the endohedral water molecule has the molecular plane perpendicular to the liquid crystal director.
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Accepted/In Press date: 14 June 2018
e-pub ahead of print date: 14 June 2018
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Local EPrints ID: 421834
URI: http://eprints.soton.ac.uk/id/eprint/421834
ISSN: 0301-7249
PURE UUID: c86b803b-251d-4c6f-8be4-afdf856d2cb6
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Date deposited: 29 Jun 2018 16:30
Last modified: 16 Mar 2024 06:45
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Author:
Karel Kouril
Author:
Benno Meier
Author:
Shamim Alom
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