THEORY OF MAGNETIC MULTIPLE RESONANCE SPECTRA

A general theory of magnetic multiple resonance spectra is presented. It is shown that the spectra are conveniently calculated by transforming to an interaction frame. The pattern of the spectrum observed in this frame is equivalent to that observed in the laboratory frame. The theory is applied to the calculation of the resonance spectrum of a three‐spin AMX system. It is theoretically shown that the multiple resonance technique is extremely powerful for the analyses of complex NMR spectra as well as for accurate determination of the magnitudes of chemical shifts and spin—spin coupling constants, even if the signals of the corresponding nuclei are hidden by other features of the spectrum. The relative signs of hidden spin—spin coupling constants can be determined from the intermediate patterns of multiple resonance spectra.