Measurement of the sign and the magnitude of heteronuclear coupling constants from spin-state-edited J-cross-polarization NMR experiments

Teodor Parella, Jordi Belloc, Francesc Sánchez-Ferrando

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9 Citations (Scopus)

Abstract

New spin-state-selective (S3) NMR pulse sequences exclusively applying cross-polarization schemes to achieve optimum homonuclear and heteronuclear 1H-X coherence transfer are reported for the simple and accurate measurement of the magnitude and sign of heteronuclear coupling constants for samples at natural abundance. The proposed spin-edited HCP-TOCSY experiments are based on clean heteronuclear S3 excitation, generated by simultaneous co-addition of two independent in-phase and anti-phase components created during the mixing heteronuclear J-cross-polarization (HCP) step, which is finally transferred to other protons by a conventional homonuclear TOCSY mechanism. Selective 1D and non-selective 2D approaches for the easy determination of long-range proton-carbon and proton-nitrogen coupling constants on any protonated and non-protonated heteronuclei are presented and discussed for several organic molecules. Copyright © 2004 John Wiley & Sons, Ltd.
Original languageEnglish
Pages (from-to)852-862
JournalMagnetic Resonance in Chemistry
Volume42
Issue number10
DOIs
Publication statusPublished - 1 Oct 2004

Keywords

  • Heteronuclear cross-polarization
  • Long-range proton-carbon coupling constants
  • NMR
  • Spin-state selective excitation

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