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

Sebastian Tassoti, Predrag Novak, Craig P. Butts, Klaus Zangger*

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)peer-review

2 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)3166-3170
Number of pages5
JournalChemPhysChem
Volume19
Issue number22
Early online date19 Oct 2018
DOIs
Publication statusPublished - 19 Nov 2018

Keywords

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

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