Proton and deuteron magnetic resonance study of Sr(BrO<inf>3</inf>)<inf>2</inf>.H<inf>2</inf>O and Sr(BrO<inf>3</inf>)<inf>2</inf>.H<inf>2</inf>O

Proton and deuteron magnetic resonance experiments have been carried out on Sr(BrO3)2.H2O at RT. From PMR data the hydrogen positions have been calculated by means of a simple method which makes use of the crystal symmetry. The EFG parameters obtained from the DMR data indicate that the D2O molecules are executing rapid 180° flips at RT giving rise to an averaged EFG tensor. From the results of a point charge calculation of the EFGS, the validity of hydrogen coordinates derived from PMR is confirmed. Again, making use of the symmetry considerations, component tensors are extracted from the room-temperature- averaged tensor. The hydrogen bonding in the iso structural Ba(ClO3)2.H2O, Ba(BrO3)2.H2O and Sr(BrO3)2.H2O is discussed in relation to the presence of super-hyperfine interaction observed in the epr studies of the ϒ-irradiated Ba(ClO3)-.H2O and Ba(Br03)2.H2O. © 1986 IOP Publishing Ltd.