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, nmrspectroscopy, vibrational correctionsnmr-spectra, molecules, spectroscopy, thiophene, samples, phases
1483-1491
Concistrè, M.
8574cc9a-726e-49b7-b136-fe6bb043b424
De Luca, G.
b190a7b3-3729-4118-b4c7-3a04da54f2b8
Longeri, M.
39ff086e-7606-4a08-9296-1528644fdef5
Pileio, G.
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8
Emsley, J.W.
37c4ca71-60c9-4458-be6b-a575134933f2
12 August 2005
Concistrè, M.
8574cc9a-726e-49b7-b136-fe6bb043b424
De Luca, G.
b190a7b3-3729-4118-b4c7-3a04da54f2b8
Longeri, M.
39ff086e-7606-4a08-9296-1528644fdef5
Pileio, G.
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8
Emsley, J.W.
37c4ca71-60c9-4458-be6b-a575134933f2
Concistrè, M., De Luca, G., Longeri, M., Pileio, G. and Emsley, J.W.
(2005)
The structure and conformations of 2-thiophenecarboxaldehyde obtained from partially averaged dipolar couplings.
ChemPhysChem, 6 (8), .
(doi:10.1002/cphc.200500190).
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.
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Published date: 12 August 2005
Keywords:
c-13 satellite spectra, conformation analysis, liquid crystals, nmrspectroscopy, 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
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Date deposited: 28 Feb 2006
Last modified: 16 Mar 2024 04:49
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Contributors
Author:
M. Concistrè
Author:
G. De Luca
Author:
M. Longeri
Author:
J.W. Emsley
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