Principles of spin-echo modulation by J-couplings in magic-angle spinning solid state NMR
Principles of spin-echo modulation by J-couplings in magic-angle spinning solid state NMR
In magic-angle-spinning solid-state NMR, the homonuclear J-couplings between pairs of spin-1/2 nuclei may be determined by studying the modulation of the spin echo induced by a -pulse, as a function of the echo duration. We present the theory of J-induced spin-echo modulation in magic-angle-spinning solids, and derive a set of modulation regimes which apply under different experimental conditions. In most cases, the dominant spin-echo modulation frequency is exactly equal to the J-coupling. Somewhat surprisingly, the chemical shift anisotropies and dipole-dipole couplings tend to stabilise - rather than obscure - the J-modulation. The theoretical conclusions are supported by numerical simulations and experimental results obtained for three representative samples containing 13C spin pairs.
j-coupling, magic-angle spinning, nmr spectroscopy, spin echoes nuclear-magnetic-resonance, bond correlation spectroscopy, carbon-carbon connectivities, hemical-shift correlation, metalphosphine complexes, double-quantum coherence, through-bond, otatingsolids, mas nmr, cross-polarization
815-833
Duma, Luminita
a1547c7d-c031-4a5a-ba78-8428fab15f79
Lai, Wai Cheu
29df4026-12c5-4a02-a271-8e7d19c10ec0
Carravetta, Marina
1b12fa96-4a6a-4689-ab3b-ccc68f1d7691
Emsley, Lyndon
3234816a-24e9-44a0-b134-70c09de78257
Brown, Steven P.
ecbc78d6-023f-41d3-8e84-bd8c7fbfcbfa
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
2004
Duma, Luminita
a1547c7d-c031-4a5a-ba78-8428fab15f79
Lai, Wai Cheu
29df4026-12c5-4a02-a271-8e7d19c10ec0
Carravetta, Marina
1b12fa96-4a6a-4689-ab3b-ccc68f1d7691
Emsley, Lyndon
3234816a-24e9-44a0-b134-70c09de78257
Brown, Steven P.
ecbc78d6-023f-41d3-8e84-bd8c7fbfcbfa
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Duma, Luminita, Lai, Wai Cheu, Carravetta, Marina, Emsley, Lyndon, Brown, Steven P. and Levitt, Malcolm H.
(2004)
Principles of spin-echo modulation by J-couplings in magic-angle spinning solid state NMR.
ChemPhysChem, 5 (6), .
(doi:10.1002/cphc.200301213).
Abstract
In magic-angle-spinning solid-state NMR, the homonuclear J-couplings between pairs of spin-1/2 nuclei may be determined by studying the modulation of the spin echo induced by a -pulse, as a function of the echo duration. We present the theory of J-induced spin-echo modulation in magic-angle-spinning solids, and derive a set of modulation regimes which apply under different experimental conditions. In most cases, the dominant spin-echo modulation frequency is exactly equal to the J-coupling. Somewhat surprisingly, the chemical shift anisotropies and dipole-dipole couplings tend to stabilise - rather than obscure - the J-modulation. The theoretical conclusions are supported by numerical simulations and experimental results obtained for three representative samples containing 13C spin pairs.
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Published date: 2004
Keywords:
j-coupling, magic-angle spinning, nmr spectroscopy, spin echoes nuclear-magnetic-resonance, bond correlation spectroscopy, carbon-carbon connectivities, hemical-shift correlation, metalphosphine complexes, double-quantum coherence, through-bond, otatingsolids, mas nmr, cross-polarization
Identifiers
Local EPrints ID: 46677
URI: http://eprints.soton.ac.uk/id/eprint/46677
ISSN: 1439-4235
PURE UUID: f38ec12c-703f-4af7-9dda-fd7c34f393ab
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Date deposited: 13 Jul 2007
Last modified: 16 Mar 2024 03:29
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Author:
Luminita Duma
Author:
Wai Cheu Lai
Author:
Lyndon Emsley
Author:
Steven P. Brown
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