Knowledge Bank

The theoretical lattice energy of $NaClO3$, calculated using the electrostatic model, will be reported. This will also be compared with the experimental value as determined from heats of hydration measurements. The electrostatic model is a extension of the original Born-Mayer rigid-ion model which takes into account only the Coulombic, repulsive and London terms. The electrostatic model considers the interactions between all possible combinations of charges, permanent-point multipoles and static-induced multipoles. The present calculations have been done to test the input data utilised, such as charge distribution and whole-ion polarizability, which are available from the literature. The ultimate aim is to use the electrostatic model for frequency prediction and calculations of frequency shift as a function of pressure for the IR spectra of NaClO$\mathrm{<mrow\; data-mjx-texclass="ORD">3</mrow>}$ which have already been studied extensively in these laboratories. Present studies arc based on electrostatic model calculations previously carried out by $Lewis1$ on $N3-$.