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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
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.
0301-7249
517-532
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
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, 517-532. (doi:10.1039/C8FD00095F).

Record type: Article

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

Identifiers

Local EPrints ID: 421834
URI: https://eprints.soton.ac.uk/id/eprint/421834
ISSN: 0301-7249
PURE UUID: c86b803b-251d-4c6f-8be4-afdf856d2cb6
ORCID for Karel Kouril: ORCID iD orcid.org/0000-0003-4884-1637
ORCID for Benno Meier: ORCID iD orcid.org/0000-0003-2258-1507
ORCID for Richard J. Whitby: ORCID iD orcid.org/0000-0002-9891-5502
ORCID for Malcolm H. Levitt: ORCID iD orcid.org/0000-0001-9878-1180

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Date deposited: 29 Jun 2018 16:30
Last modified: 20 Jul 2019 04:14

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