Abstract

The COSY experiment produces cross peaks in the two-dimensional NMR spectrum if two spins are coupled, but these cross peaks will vanish as the coupling constant becomes small with respect to the digital resolution. This paper investigates quantitatively the behavior of the cross peaks and diagonal peaks as a function of the coupling constant, J, divided by the digital resolution for an AX spin system in the COSY and related experiments. This is done using a computer simulation program called SIMPLTN, which looks as much like a spectrometer as possible. The spin dynamics is simulated exactly and the output is in the form of a calculated FID, which is then processed like experimental data. In this way, the effects both of the spin parameters and of the data processing can be investigated.

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