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Measurement of coupling constants in symmetrical spin systems using a full multiple‐step cross‐polarization‐driven NMR pulse scheme
Author(s) -
Nolis Pau,
Roglans Anna,
Parella Teodor
Publication year - 2005
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.1670
Subject(s) - homonuclear molecule , chemistry , heteronuclear molecule , coupling constant , multiplet , pulse sequence , magnetization , polarization (electrochemistry) , molecular physics , nuclear magnetic resonance spectroscopy , molecule , analytical chemistry (journal) , nuclear magnetic resonance , computational chemistry , stereochemistry , quantum mechanics , physics , magnetic field , organic chemistry , spectral line
New NMR pulse schemes completely driven under homonuclear and heteronuclear cross‐polarization conditions are proposed for the study and the measurement of coupling constants in symmetrical molecules in solution. The appropriate superimposition of independent magnetization components can afford several spin‐selective multiplet patterns that are suitable for the determination of the magnitude and the sign of proton–proton and proton–carbon coupling constants with optimum sensitivity levels. A detailed product operator formalism analysis for the proposed doubly selective 1D and nonselective 2D HCP‐TOCSY versions is provided and experimental verification for the configurational analysis of symmetric olefinic systems having chemical equivalence is demonstrated. Copyright © 2005 John Wiley & Sons, Ltd.