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13 C/ 15 N distance determination by CPMAS NMR in uniformly 13 C labeled molecules
Author(s) -
Hologne Maggy,
Raya Jésus,
Hirschinger Jérôme
Publication year - 2006
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1744
Subject(s) - homonuclear molecule , chemistry , coupling constant , magnetic dipole–dipole interaction , chemical shift , carbon 13 nmr , carbon 13 , decoupling (probability) , analytical chemistry (journal) , j coupling , nuclear magnetic resonance , residual dipolar coupling , anisotropy , nuclear magnetic resonance spectroscopy , dipole , molecule , stereochemistry , chromatography , physics , organic chemistry , particle physics , control engineering , engineering , quantum mechanics
The REDOR and CPMAS techniques are applied for measuring 13 C 15 N dipolar coupling constants in glycine. It is shown that the selective CP or SPECIFIC CP technique removes the coherent evolution of the spin system under homonuclear 13 C 13 C J couplings. While the large coupling constant (∼900 Hz) is readily determined because of the presence of large oscillations in the CPMAS dynamics, their absence precludes the measurement of the small coupling constant (∼200 Hz). The experimental results and numerical simulations demonstrate that the determination of 13 C 15 N coupling constants of medium size (<1 kHz) by the CPMAS technique is mainly limited by the strength of the 1 H decoupling field and the size of the 13 C and 15 N chemical shift anisotropies. Copyright © 2005 John Wiley & Sons, Ltd.
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