Real-time J-upscaling in two-dimensional pure shift diagonal NMR: Simultaneous resolution enhancement in chemical shifts and scalar couplings

Abstract

A two-dimensional real-time J-upscaled pure shift diagonal pulse scheme, JS-PSYCHE-DIAG has been developed. This method enhances the resolution in scalar coupling multiplets by real-time J-upscaling during the direct acquisition, and these J-upscaled multiplets resolve on the diagonal at the respective pure shift positions, which results in resolution enhancement in chemical shifts. Thus, both chemical shifts and scalar couplings get better resolved simultaneously in the same NMR experiment. The efficacy of the present method has been demonstrated, (i) on hesperidin for resolving the J-upscaled multiplets belonging to diastereomers and (ii) on a natural product, strychnine, to measure small scalar couplings including the long range values.