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NMR of molecular endofullerenes dissolved in a nematic liquid crystal

NMR of molecular endofullerenes dissolved in a nematic liquid crystal
NMR of molecular endofullerenes dissolved in a nematic liquid crystal
We report the NMR of the molecular endofullerenes H2@C60, H2O@C60 and HF@C60 dissolved in the nematic liquid crystal N-(4-methoxybenzylidene)-4-butylaniline (MBBA). The 1H NMR lines of H2 and H2O display a doublet splitting due to residual dipole–dipole coupling. The dipolar splitting depends on temperature in the nematic phase and vanishes above the nematic–isotropic phase transition. The 19F spectrum of HF@C60 dissolved in MBBA displays a doublet splitting in the nematic phase, with contributions from the 1H–19F dipole–dipole coupling and J-coupling. The phenomena are analyzed using a model in which the fullerene cages acquire a geometrical distortion, either through interaction with the liquid crystal environment, or through their interaction with the endohedral molecules. The distorted cages become partially oriented with respect to the liquid crystal director, and the endohedral molecules become partially oriented with respect to the distorted cages.
1463-9076
11793-11801
Kouril, Karel
75bde80c-90bd-49c4-8b89-ec1a7b39363a
Wickens, Christopher
32f9725b-df1d-4027-9513-908a49d81942
Meier, Benno
ed19bfd6-3347-43f1-9e1a-06e6586ee4d1
Alom, Shamim
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Grasvik, John
28699f13-0e49-49f5-b1e6-540f342096b3
Whitby, Richard J.
45632236-ab00-4ad0-a02d-6209043e818b
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Kouril, Karel
75bde80c-90bd-49c4-8b89-ec1a7b39363a
Wickens, Christopher
32f9725b-df1d-4027-9513-908a49d81942
Meier, Benno
ed19bfd6-3347-43f1-9e1a-06e6586ee4d1
Alom, Shamim
f6b56fb1-7f94-432a-87cd-887f6e5d9f64
Grasvik, John
28699f13-0e49-49f5-b1e6-540f342096b3
Whitby, Richard J.
45632236-ab00-4ad0-a02d-6209043e818b
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3

Kouril, Karel, Wickens, Christopher, Meier, Benno, Alom, Shamim, Grasvik, John, Whitby, Richard J. and Levitt, Malcolm H. (2017) NMR of molecular endofullerenes dissolved in a nematic liquid crystal. Physical Chemistry Chemical Physics, 2017 (19), 11793-11801. (doi:10.1039/C7CP00906B).

Record type: Article

Abstract

We report the NMR of the molecular endofullerenes H2@C60, H2O@C60 and HF@C60 dissolved in the nematic liquid crystal N-(4-methoxybenzylidene)-4-butylaniline (MBBA). The 1H NMR lines of H2 and H2O display a doublet splitting due to residual dipole–dipole coupling. The dipolar splitting depends on temperature in the nematic phase and vanishes above the nematic–isotropic phase transition. The 19F spectrum of HF@C60 dissolved in MBBA displays a doublet splitting in the nematic phase, with contributions from the 1H–19F dipole–dipole coupling and J-coupling. The phenomena are analyzed using a model in which the fullerene cages acquire a geometrical distortion, either through interaction with the liquid crystal environment, or through their interaction with the endohedral molecules. The distorted cages become partially oriented with respect to the liquid crystal director, and the endohedral molecules become partially oriented with respect to the distorted cages.

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KK-LiqXtalMEF-resubm - Accepted Manuscript
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Accepted/In Press date: 10 April 2017
e-pub ahead of print date: 10 April 2017
Published date: 21 May 2017
Organisations: Organic Chemistry: SCF, Magnetic Resonance

Identifiers

Local EPrints ID: 408697
URI: https://eprints.soton.ac.uk/id/eprint/408697
ISSN: 1463-9076
PURE UUID: b5525f18-cb0a-4095-9f65-4ec0513e0161
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

Catalogue record

Date deposited: 26 May 2017 04:02
Last modified: 14 Mar 2019 05:57

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