Estimation of internuclear couplings in the solid-state NMR of multiple-spin systems: selective spin echoes and off-magic-angle sample spinning
Estimation of internuclear couplings in the solid-state NMR of multiple-spin systems: selective spin echoes and off-magic-angle sample spinning
Internuclear couplings between selected homonuclear spin pairs in a multiply-labelled spin system are determined by NMR spin echo experiments in the solid-state. The spin echoes are induced by an amplitude-modulated shaped pulse. The time shift in the echo modulation curve is treated by average Hamiltonian theory and verified by numerical simulation. The J-couplings may be estimated by experiments on samples spinning at the magic-angle, while the direct dipole–dipole couplings may be estimated by off-magic-angle spinning. The concept is tested on a uniformly 13C-enriched sample of l-histidine hydrochloride monohydrate.
rotating solids, pulse, nuclear-magnetic-resonance, modulation, scalar couplings, spectroscopy
116-121
Pileio, Giuseppe
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Mamone, Salvatore
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Mollica, Giulia
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Montesinos, Ildefonso Marin
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Gansmüller, Axel
239d731b-d3cb-4c2f-8c9e-ddb1e195c73f
Carravetta, Marina
1b12fa96-4a6a-4689-ab3b-ccc68f1d7691
Brown, Steven P.
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Levitt, Malcolm H.
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21 April 2008
Pileio, Giuseppe
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8
Mamone, Salvatore
b4a7783d-af9c-482a-afde-a77a06460b4b
Mollica, Giulia
d68bc83d-4993-4999-a58d-54e7eee61214
Montesinos, Ildefonso Marin
29a65ff5-7224-4c96-ae0b-8659851f6b3c
Gansmüller, Axel
239d731b-d3cb-4c2f-8c9e-ddb1e195c73f
Carravetta, Marina
1b12fa96-4a6a-4689-ab3b-ccc68f1d7691
Brown, Steven P.
ecbc78d6-023f-41d3-8e84-bd8c7fbfcbfa
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Pileio, Giuseppe, Mamone, Salvatore, Mollica, Giulia, Montesinos, Ildefonso Marin, Gansmüller, Axel, Carravetta, Marina, Brown, Steven P. and Levitt, Malcolm H.
(2008)
Estimation of internuclear couplings in the solid-state NMR of multiple-spin systems: selective spin echoes and off-magic-angle sample spinning.
Chemical Physics Letters, 456 (1-3), .
(doi:10.1016/j.cplett.2008.03.021).
Abstract
Internuclear couplings between selected homonuclear spin pairs in a multiply-labelled spin system are determined by NMR spin echo experiments in the solid-state. The spin echoes are induced by an amplitude-modulated shaped pulse. The time shift in the echo modulation curve is treated by average Hamiltonian theory and verified by numerical simulation. The J-couplings may be estimated by experiments on samples spinning at the magic-angle, while the direct dipole–dipole couplings may be estimated by off-magic-angle spinning. The concept is tested on a uniformly 13C-enriched sample of l-histidine hydrochloride monohydrate.
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Published date: 21 April 2008
Keywords:
rotating solids, pulse, nuclear-magnetic-resonance, modulation, scalar couplings, spectroscopy
Identifiers
Local EPrints ID: 54492
URI: http://eprints.soton.ac.uk/id/eprint/54492
ISSN: 0009-2614
PURE UUID: 5d06d368-8aeb-428a-b8c0-acb028141242
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Date deposited: 06 Aug 2008
Last modified: 16 Mar 2024 03:47
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Contributors
Author:
Salvatore Mamone
Author:
Giulia Mollica
Author:
Ildefonso Marin Montesinos
Author:
Axel Gansmüller
Author:
Steven P. Brown
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