The theory of COSY NMR experiments revisited: Application to an AX spin system of quadrupolar nuclei

Abstract

The two-dimensional nuclear magnetic resonance correlation spectroscopy (2D NMR COSY) spectrum of an AX spin system of spin-1 has been calculated by numerical density matrix calculations. The mathematical expressions found are valid for an AX spin system of any spins. These expressions should be used to calculate the 2D NMR COSY spectrum of an AX spin system of high spin nuclei as their use will significantly simplify the calculations. More precisely, one needs to calculate only one set of coefficients despite the need of two steps in the phase cycling to achieve phase modulation during t1. © 2010 Wiley Periodicals, Inc.