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ELECTROSTATIC MODEL CALCULATIONS FOR THE LATTICE ENERGY OF $NaClO_{3}$

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/9421

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Title: ELECTROSTATIC MODEL CALCULATIONS FOR THE LATTICE ENERGY OF $NaClO_{3}$
Creators: Soriaga, M. P.; Lewis, G. J.; Andermann, G.
Issue Date: 1975
Abstract: The theoretical lattice energy of $NaClO_{3}$, 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$_{3}$ which have already been studied extensively in these laboratories. Present studies arc based on electrostatic model calculations previously carried out by $Lewis^{1}$ on $N_{3}^{-}$.
URI: http://hdl.handle.net/1811/9421
Other Identifiers: 1975-Sigma-24
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