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The PMR spectrum of BaBr2·2H2O shows resolved fine structure when the crystallographic b axis is perpendicular to the magnetic field. This fine structure can be explained upon assuming the existence of a four-proton system. Comparison between theoretically computed spectra and experimental spectra shows that the system is a parallelogram in the a—c plane. One side is perpendicular to the c axis while the longer side lies about 3° away from the c axis (toward the a axis). The intramolecular and intermolecular proton—proton distances are 1.57 and 2.60 Å, respectively. Neither value has been corrected for motional effects.
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J. W. McGrath (1965) studied this question.
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