4.5 Article

High Resolution for Chemical Shifts and Scalar Coupling Constants: The 2D Real-Time J-Upscaled PSYCHE-DIAG

Journal

CHEMPHYSCHEM
Volume 19, Issue 22, Pages 3166-3170

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.201800746

Keywords

NMR spectroscopy; structure determination; scalar coupling; pure shift; homonuclear decoupling

Funding

  1. Austrian Science Foundation (FWF) [P30230, W901]
  2. NAWI Graz
  3. Austrian Science Fund (FWF) [P30230] Funding Source: Austrian Science Fund (FWF)
  4. BBSRC [BB/F011539/1] Funding Source: UKRI
  5. EPSRC [EP/L011999/1] Funding Source: UKRI

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The facile determination of chemical shift and scalar coupling constants in NMR spectra is often prevented by spectral overlap and limited resolution. Here, we present a high-resolution NMR experiment for the simultaneous detection of both resonance frequencies and coupling patterns even with small J-values. A PSYCHE-decoupled DIAG (Pure Shift Yielded by Chirp Excitation- DIAGonal) experiment, which resolves chemical shift in the indirect dimension of a 2D experiment is combined with real-time J-upscaling in order to visualize small coupling constants that would otherwise be hidden in the linewidth of a regular proton or DIAG spectrum.

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