Long-lived nuclear spin states in monodeuterated methyl groups
Long-lived nuclear spin states in monodeuterated methyl groups
It is possible to access long-lived nuclear singlet order in monodeuterated methyl groups, in the case that a significant chemical shift difference exists between the CH2D protons. This occurs when the local environment is chiral, and the CH2D rotamers have different populations. An experimental demonstration is presented for the case of N-CH2D-2-methylpiperidine. The ratio of the singlet relaxation time constant TS to the longitudinal relaxation time constant T1 is found to be equal to 3.1 ± 0.1 s, over a wide range of temperatures, solvents, and magnetic fields. The longest observed value of TS approaches 1 minute. The relaxation mechanisms of the long-lived state are discussed, and a modified model of the CH2D geometry is proposed to explain the observed ratio of TS to T1.
17965-17972
Elliott, Stuart
6cc724de-f75f-4c0f-a00a-e712b4e73b12
Brown, Lynda J.
75aa95fa-5d27-46a7-9dbe-0f465a664f5b
Dumez, Jean-Nicolas
9e2e29e1-fe59-40ea-97e0-e4dce6a12e8c
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
21 July 2016
Elliott, Stuart
6cc724de-f75f-4c0f-a00a-e712b4e73b12
Brown, Lynda J.
75aa95fa-5d27-46a7-9dbe-0f465a664f5b
Dumez, Jean-Nicolas
9e2e29e1-fe59-40ea-97e0-e4dce6a12e8c
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Elliott, Stuart, Brown, Lynda J., Dumez, Jean-Nicolas and Levitt, Malcolm H.
(2016)
Long-lived nuclear spin states in monodeuterated methyl groups.
Physical Chemistry Chemical Physics, 18 (27), .
(doi:10.1039/C6CP03619H).
Abstract
It is possible to access long-lived nuclear singlet order in monodeuterated methyl groups, in the case that a significant chemical shift difference exists between the CH2D protons. This occurs when the local environment is chiral, and the CH2D rotamers have different populations. An experimental demonstration is presented for the case of N-CH2D-2-methylpiperidine. The ratio of the singlet relaxation time constant TS to the longitudinal relaxation time constant T1 is found to be equal to 3.1 ± 0.1 s, over a wide range of temperatures, solvents, and magnetic fields. The longest observed value of TS approaches 1 minute. The relaxation mechanisms of the long-lived state are discussed, and a modified model of the CH2D geometry is proposed to explain the observed ratio of TS to T1.
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Long-lived nuclear spin states in monodeuterated methyl groups
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Accepted/In Press date: 8 June 2016
e-pub ahead of print date: 10 June 2016
Published date: 21 July 2016
Organisations:
Magnetic Resonance
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Local EPrints ID: 396878
URI: http://eprints.soton.ac.uk/id/eprint/396878
ISSN: 1463-9076
PURE UUID: d19d8ed5-0355-4d58-afad-56df4127e114
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Date deposited: 14 Jun 2016 16:16
Last modified: 15 Mar 2024 05:40
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Author:
Stuart Elliott
Author:
Jean-Nicolas Dumez
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