Long-lived nuclear singlet order in near-equivalent 13c spin pairs
Long-lived nuclear singlet order in near-equivalent 13c spin pairs
Molecules that support 13C singlet states with lifetimes of over 10 min in solution have been designed and synthesized. The 13C2 spin pairs in the asymmetric alkyne derivatives are close to magnetic equivalence, so the 13C long-lived singlet states are stable in high magnetic field and do not require maintenance by a radiofrequency spin-locking field. We suggest a model of singlet relaxation by fluctuating chemical shift anisotropy tensors combined with leakage associated with slightly broken magnetic equivalence. Theoretical estimates of singlet relaxation rates are compared with experimental values. Relaxation due to antisymmetric shielding tensor components is significant.
17494-17497
Pileio, Giuseppe
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Hill-Cousins, Joseph T.
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Mitchell, Sam
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Kuprov, Ilya
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Brown, Lynda J.
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Brown, Richard C. D.
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Levitt, Malcolm H.
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24 October 2012
Pileio, Giuseppe
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Hill-Cousins, Joseph T.
615ef358-b4f3-4736-b5cf-3d05355277f2
Mitchell, Sam
62cc7701-4bf2-4778-9446-4dbc76c6440b
Kuprov, Ilya
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Brown, Lynda J.
75aa95fa-5d27-46a7-9dbe-0f465a664f5b
Brown, Richard C. D.
21ce697a-7c3a-480e-919f-429a3d8550f5
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Pileio, Giuseppe, Hill-Cousins, Joseph T., Mitchell, Sam, Kuprov, Ilya, Brown, Lynda J., Brown, Richard C. D. and Levitt, Malcolm H.
(2012)
Long-lived nuclear singlet order in near-equivalent 13c spin pairs.
Journal of the American Chemical Society, 134 (42), .
Abstract
Molecules that support 13C singlet states with lifetimes of over 10 min in solution have been designed and synthesized. The 13C2 spin pairs in the asymmetric alkyne derivatives are close to magnetic equivalence, so the 13C long-lived singlet states are stable in high magnetic field and do not require maintenance by a radiofrequency spin-locking field. We suggest a model of singlet relaxation by fluctuating chemical shift anisotropy tensors combined with leakage associated with slightly broken magnetic equivalence. Theoretical estimates of singlet relaxation rates are compared with experimental values. Relaxation due to antisymmetric shielding tensor components is significant.
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e-pub ahead of print date: 15 October 2012
Published date: 24 October 2012
Organisations:
Computational Systems Chemistry
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Local EPrints ID: 345404
URI: http://eprints.soton.ac.uk/id/eprint/345404
ISSN: 0002-7863
PURE UUID: f0bab4f3-27cf-4e3e-a6dc-5296e5296a33
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Date deposited: 20 Nov 2012 14:58
Last modified: 15 Mar 2024 03:43
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Author:
Joseph T. Hill-Cousins
Author:
Sam Mitchell
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