A Theoretical Investigation of 3D J-Resolved NMR Spectroscopy for ISNKM (I = 1/2, S = 1/2 and 1, K = 1) Spin Systems

Abstract

The product operator formalism is widely used for an analytical description of multi-dimensional and multiple-pulse NMR experiments for the weakly coupled spin systems having spin 1/2 and spin-1. Note that 3D J-resolved NMR spectroscopy is also widely used in order to resolve the chemical shift along the one axis and spin-spin coupling parameters along the two different axes. Therefore, the purpose of this study is to present first the analytical description of heteronuclear 3D J-resolved NMR spectroscopy for both IS<inf>n</inf>K<inf>m</inf> (I = 1/2, S = 1/2, K = 1; n = 1, 2, m = 1,2) and IS<inf>n</inf>K<inf>m</inf> (I = 1/2, S = 1, K = 1; n = 1,2, m = 1,2) spin systems by using the product operator theory.