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The determination of the conformation of the aromatic rings in a lateral fluoro-substituted liquid crystal by C-13 NMR spectroscopy

The determination of the conformation of the aromatic rings in a lateral fluoro-substituted liquid crystal by C-13 NMR spectroscopy
The determination of the conformation of the aromatic rings in a lateral fluoro-substituted liquid crystal by C-13 NMR spectroscopy
A C-13-{H-1} NMR spectrum of 2,2'-difluoro-4"-hexoxy-4-pentyl-[1,1' : 4',1'']-terphenyl in the nematic phase has been obtained and analysed to yield a set of partially-averaged dipolar couplings, D-ij(CF), which are used to determine the relative conformation of the two fluorinated rings. The probability distribution for the inter-ring angle is found to be peaked at 47.5+/-2.5° and 122.5+/-2.5°. The integrated, normalised probability that the inter-ring angle is less than 90° is 0.43.
molecules, spectra, 2, 2', -difluorobiphenyl, simulation, couplings, phases, field
1463-9076
4921-4930
Castiglione, F.
60b8b50f-41b0-4c64-99c5-d553edcea838
Emsley, J.W.
9d219d5e-28c0-4a8c-bf3d-1f78cd707c17
Hird, M.
94a0a99b-b1be-4de0-bc69-fd09f5db5616
Street, J.M.
186366c0-692b-4236-bb93-e2a3b6e9395c
Castiglione, F.
60b8b50f-41b0-4c64-99c5-d553edcea838
Emsley, J.W.
9d219d5e-28c0-4a8c-bf3d-1f78cd707c17
Hird, M.
94a0a99b-b1be-4de0-bc69-fd09f5db5616
Street, J.M.
186366c0-692b-4236-bb93-e2a3b6e9395c

Castiglione, F., Emsley, J.W., Hird, M. and Street, J.M. (2002) The determination of the conformation of the aromatic rings in a lateral fluoro-substituted liquid crystal by C-13 NMR spectroscopy. Physical Chemistry Chemical Physics, 4 (20), 4921-4930. (doi:10.1039/b206271m).

Record type: Article

Abstract

A C-13-{H-1} NMR spectrum of 2,2'-difluoro-4"-hexoxy-4-pentyl-[1,1' : 4',1'']-terphenyl in the nematic phase has been obtained and analysed to yield a set of partially-averaged dipolar couplings, D-ij(CF), which are used to determine the relative conformation of the two fluorinated rings. The probability distribution for the inter-ring angle is found to be peaked at 47.5+/-2.5° and 122.5+/-2.5°. The integrated, normalised probability that the inter-ring angle is less than 90° is 0.43.

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More information

Published date: 2002
Keywords: molecules, spectra, 2, 2', -difluorobiphenyl, simulation, couplings, phases, field

Identifiers

Local EPrints ID: 19694
URI: http://eprints.soton.ac.uk/id/eprint/19694
ISSN: 1463-9076
PURE UUID: 32d6f0b7-0189-45dc-b114-51486b148e2a

Catalogue record

Date deposited: 17 Feb 2006
Last modified: 15 Jul 2019 19:26

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