Tassoti Sebastian, Novak Predrag, Butts Craig P, Zangger Klaus
Institute of Chemistry/Organic and Bioorganic Chemistry, University of Graz, Heinrichstraße 28, A-8010, Graz, Austria.
Department of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102 A, HR-10 000, Zagreb, Croatia.
Chemphyschem. 2018 Nov 19;19(22):3166-3170. doi: 10.1002/cphc.201800746. Epub 2018 Oct 19.
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.
核磁共振谱中化学位移和标量耦合常数的简便测定常常受到谱峰重叠和分辨率有限的阻碍。在此，我们提出了一种高分辨率核磁共振实验，即使对于较小的耦合常数（J值），也能同时检测共振频率和耦合模式。一种PSYCHE去耦DIAG（线性调频激励产生的纯位移 - 对角）实验，它在二维实验的间接维度中解析化学位移，并与实时J值放大相结合，以便可视化那些否则会隐藏在常规质子或DIAG谱线宽中的小耦合常数。
