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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
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
0009-2614
116-121
Pileio, Giuseppe
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8
Mamone, Salvatore
a36f5468-abcb-47d8-9bff-0dddec553a5e
Mollica, Giulia
d68bc83d-4993-4999-a58d-54e7eee61214
Montesinos, Ildefonso Marin
29a65ff5-7224-4c96-ae0b-8659851f6b3c
Gansmüller, Axel
67c127f1-7776-436e-b195-5e137c47fbce
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
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8
Mamone, Salvatore
a36f5468-abcb-47d8-9bff-0dddec553a5e
Mollica, Giulia
d68bc83d-4993-4999-a58d-54e7eee61214
Montesinos, Ildefonso Marin
29a65ff5-7224-4c96-ae0b-8659851f6b3c
Gansmüller, Axel
67c127f1-7776-436e-b195-5e137c47fbce
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), 116-121. (doi:10.1016/j.cplett.2008.03.021).

Record type: Article

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.

Full text not available from this repository.

More information

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
ORCID for Giuseppe Pileio: ORCID iD orcid.org/0000-0001-9223-3896
ORCID for Marina Carravetta: ORCID iD orcid.org/0000-0002-6296-2104
ORCID for Malcolm H. Levitt: ORCID iD orcid.org/0000-0001-9878-1180

Catalogue record

Date deposited: 06 Aug 2008
Last modified: 03 Dec 2019 01:53

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