PRODUCT-OPERATOR ALGEBRA FOR STRONGLY COUPLED SPIN SYSTEMS

A product-operator description of a large strongly coupled spin- 1 2 system for analyzing multiple-pulse NMR experiments is reported. Three different methods are proposed to obtain the simulated spectra without any reference to eigenfunctions of the spin Hamiltonian. The first works directly with the coefficients of the Baker-Campbell-Hausdorff formula. The others simulate the time-domain signals and the spectra can be obtained by using either the fast Fourier transform of the signal or the linear prediction method. A simulation program (NMR-SCOPE) has been developed and its efficiency is illustrated by J-resolved, COSY, and 2D selective inversion experiments on AB and ABC spin systems. © 1993 by Academic Press, Inc.