The University of Southampton
University of Southampton Institutional Repository

The structure and conformations of 2-thiophenecarboxaldehyde obtained from partially averaged dipolar couplings

The structure and conformations of 2-thiophenecarboxaldehyde obtained from partially averaged dipolar couplings
The structure and conformations of 2-thiophenecarboxaldehyde obtained from partially averaged dipolar couplings
The proton NMR spectra of samples of 2-thiophenecarboxalde-hyde dissolved in a nematic liquid crystalline solvent, including those from all five singly labelled C-13 isotopomers, have been obtained. These have been analysed to yield sets of partially averaged dipolar couplings which have been used to determine the structure and the relative amounts of the cis and trans forms, which are the two minimum-energy structures generated by rotation about the ring-aldehyde bond. A procedure for applying vibrational corrections to the dipolar couplings in the presence of large amplitude motions is discussed.
c-13 satellite spectra, conformation analysis, liquid crystals, nmr spectroscopy, vibrational correctionsnmr-spectra, molecules, spectroscopy, thiophene, samples, phases
1483-1491
Concistre, Maria
c59ea2ef-d6ee-4944-ac4a-13b9df985b6e
De Luca, Giuseppina
8152f554-4aa6-42bf-af23-c0d74db9f69e
Longeri, Marcello
3b1f11d6-2c93-4221-898b-b85385f0b0ed
Pileio, Giuseppe
6149be39-a53f-4b55-86fe-1e5d97ae0c8c
Emsley, James W.
9d219d5e-28c0-4a8c-bf3d-1f78cd707c17
Concistre, Maria
c59ea2ef-d6ee-4944-ac4a-13b9df985b6e
De Luca, Giuseppina
8152f554-4aa6-42bf-af23-c0d74db9f69e
Longeri, Marcello
3b1f11d6-2c93-4221-898b-b85385f0b0ed
Pileio, Giuseppe
6149be39-a53f-4b55-86fe-1e5d97ae0c8c
Emsley, James W.
9d219d5e-28c0-4a8c-bf3d-1f78cd707c17

Concistre, Maria, De Luca, Giuseppina, Longeri, Marcello, Pileio, Giuseppe and Emsley, James W. (2005) The structure and conformations of 2-thiophenecarboxaldehyde obtained from partially averaged dipolar couplings. ChemPhysChem, 6 (8), 1483-1491. (doi:10.1002/cphc.200500190).

Record type: Article

Abstract

The proton NMR spectra of samples of 2-thiophenecarboxalde-hyde dissolved in a nematic liquid crystalline solvent, including those from all five singly labelled C-13 isotopomers, have been obtained. These have been analysed to yield sets of partially averaged dipolar couplings which have been used to determine the structure and the relative amounts of the cis and trans forms, which are the two minimum-energy structures generated by rotation about the ring-aldehyde bond. A procedure for applying vibrational corrections to the dipolar couplings in the presence of large amplitude motions is discussed.

Full text not available from this repository.

More information

Published date: 12 August 2005
Keywords: c-13 satellite spectra, conformation analysis, liquid crystals, nmr spectroscopy, vibrational correctionsnmr-spectra, molecules, spectroscopy, thiophene, samples, phases

Identifiers

Local EPrints ID: 20766
URI: http://eprints.soton.ac.uk/id/eprint/20766
PURE UUID: b6c42ba5-728b-4e4a-a470-d405b6c0fe9e

Catalogue record

Date deposited: 28 Feb 2006
Last modified: 15 Jul 2019 19:25

Export record

Altmetrics

Download statistics

Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.

View more statistics

Atom RSS 1.0 RSS 2.0

Contact ePrints Soton: eprints@soton.ac.uk

ePrints Soton supports OAI 2.0 with a base URL of http://eprints.soton.ac.uk/cgi/oai2

This repository has been built using EPrints software, developed at the University of Southampton, but available to everyone to use.

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.

×