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Publication - Professor Craig Butts

    High Resolution for Chemical Shifts and Scalar Coupling Constants

    The 2D Real-Time J-Upscaled PSYCHE-DIAG


    Tassoti, S, Novak, P, Butts, CP & Zangger, K, 2018, ‘High Resolution for Chemical Shifts and Scalar Coupling Constants: The 2D Real-Time J-Upscaled PSYCHE-DIAG’. ChemPhysChem, vol 19., pp. 3166-3170


    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.

    Full details in the University publications repository