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
12 August 2005
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), .
(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, 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
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Date deposited: 28 Feb 2006
Last modified: 15 Jul 2019 19:25
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Contributors
Author:
Maria Concistre
Author:
Giuseppina De Luca
Author:
Marcello Longeri
Author:
Giuseppe Pileio
Author:
James W. Emsley
University divisions
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