N.M.R. spectra of molecules containing quadrupolar nuclei

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Abstract
The general method for calculating the high resolution nuclear magnetic resonance band shape of the 2A2B region of the 2A2B3X system for all rates of X quadrupolar relaxation is given in the extreme narrowing approximation. Explicit expressions are derived for the line widths in the limit of rapid X relaxation. It is shown that the behaviour of this line shape is different from the corresponding behaviour of the 2A3X system. An experimental variable temperature study of the spectrum of 2-bromothiazole is described; ratios of scalar proton-nitrogen coupling constants and activation energies for rotational diffusion are given. Spectra recorded at two different spectrometer frequencies verified the theoretical prediction that the AB line widths are field dependent.