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Determination of molecular torsion angles using nuclear singlet relaxation

Determination of molecular torsion angles using nuclear singlet relaxation
Determination of molecular torsion angles using nuclear singlet relaxation
The exponential relaxation time constant, T(S), of a nuclear singlet state is influenced by the proximity of neighboring NMR-active nuclei. For methylene groups in particular this dependence is much stronger than the case for other NMR relaxation constants, including the “conventional” relaxation time constant, T(1), of the longitudinal magnetization. This sensitivity provides a new route for determining torsional angles plus other molecular structural details in the isotropic solution phase.
0002-7863
8225-8227
Tayler, Michael C.D.
d5cb67f4-6c82-4a25-8b2c-75a1212657ed
Marie, Sabrina
3f2fef38-96e8-4eb8-a7cc-f4f630a65849
Ganesan, A.
62aa5a87-9308-4383-8686-99726b6bcfb9
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Tayler, Michael C.D.
d5cb67f4-6c82-4a25-8b2c-75a1212657ed
Marie, Sabrina
3f2fef38-96e8-4eb8-a7cc-f4f630a65849
Ganesan, A.
62aa5a87-9308-4383-8686-99726b6bcfb9
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3

Tayler, Michael C.D., Marie, Sabrina, Ganesan, A. and Levitt, Malcolm H. (2010) Determination of molecular torsion angles using nuclear singlet relaxation. Journal of the American Chemical Society, 132 (24), 8225-8227. (doi:10.1021/ja1012917).

Record type: Article

Abstract

The exponential relaxation time constant, T(S), of a nuclear singlet state is influenced by the proximity of neighboring NMR-active nuclei. For methylene groups in particular this dependence is much stronger than the case for other NMR relaxation constants, including the “conventional” relaxation time constant, T(1), of the longitudinal magnetization. This sensitivity provides a new route for determining torsional angles plus other molecular structural details in the isotropic solution phase.

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Published date: 27 May 2010
Organisations: Chemistry

Identifiers

Local EPrints ID: 160135
URI: http://eprints.soton.ac.uk/id/eprint/160135
ISSN: 0002-7863
PURE UUID: 024ca313-80eb-4d76-9c2c-4a834d93aa9b
ORCID for Malcolm H. Levitt: ORCID iD orcid.org/0000-0001-9878-1180

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Date deposited: 12 Jul 2010 08:29
Last modified: 07 Oct 2020 07:08

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