High-resolution 2-D NMR spectroscopy based on the Radon transform and pure shift technique for studying chemical shifts perturbations

Abstract

Chemical shift plays an important role in molecular analysis. However, chemical shifts are influenced by temperature, solvent concentration, pressure, and so forth. Therefore, measuring chemical shift perturbations caused by these factors is helpful to molecular studies. A new form of 2-D spectroscopy (projection spectroscopy) has been introduced whose indirect dimension is derived by implementing the Radon transform on a series of conventional 1-D proton spectra and indicates such perturbations. However, signal overlap may exist in the conventional 1-D spectra and hence in the resulting projection spectra, hampering clear multiplet analysis and accurate extraction of perturbations. Here, the pure shift decoupling technique is employed to obtain clearer projection spectrum with higher spectral resolution. The combination of pure shift technique and the Radon transform is helpful to accurately extract chemical shift perturbations. It is believed that this application will open up a vast prospect for molecular analysis.

Keywords: Radon transform; chemical shift perturbations; molecular analysis; nuclear magnetic resonance (NMR); pure shift.