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Issue 27, 2016
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Long-lived nuclear spin states in monodeuterated methyl groups

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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, 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.

Graphical abstract: Long-lived nuclear spin states in monodeuterated methyl groups

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Publication details

The article was received on 25 May 2016, accepted on 08 Jun 2016 and first published on 10 Jun 2016


Article type: Paper
DOI: 10.1039/C6CP03619H
Author version available: Download Author version (PDF)
Citation: Phys. Chem. Chem. Phys., 2016,18, 17965-17972
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    Long-lived nuclear spin states in monodeuterated methyl groups

    S. J. Elliott, L. J. Brown, J. Dumez and M. H. Levitt, Phys. Chem. Chem. Phys., 2016, 18, 17965
    DOI: 10.1039/C6CP03619H

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