Dependence of the pure quadrupole resonance frequency on temperature for KBrO3

The pure quadrupole resonance frequency of KBrO3 in the temperature range 4.17-300.16 K was determined experimentally and compared with the model developed by Stahl which contains three adjustable constants. Excellent agreement between the experimental data and the model was obtained when considering only the temperature range 4.17-52 K. As a result of the comparison, the following values are suggested for KBrO3: the resonance frequency at 0 K is 179.50373 MHz, the Debye temperature, Theta(d), is 108 K, and the rotational energy, Iomega(l)(2), of each of the first two modes of oscillation of the BrO3 group is 1.707 x 10(-18) kg m(2). Here I is the moment of inertia and col is the lattice vibration frequency. Comparison of model and experimental data over the entire temperature range from 4.17 to 300.16 K shows that the suggested theory reflects very well the general trend of the experimental data but lacks in some detail. Copyright (C) 2003 John Wiley Sons, Ltd.