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New Methods To Estimate Lattice Energies: Application to the Relative Stabilities of Bisulfite (HSO3-) and Metabisulfite (S2O52-) Salts
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Abstract
Thermodynamic information is critical for the assessment of the reactivity and stability of materials. New procedures have recently been developed that provide straightforward predictive methods for estimating lattice energy and standard entropy of conventional salts. These procedures also open up new possibilities for estimating the thermochemistry involving salts for which there is little or no structural information available, as well as for conventional, well-characterized, ionic materials. These approaches are based on volume data, obtained from crystal structure determinations or from additive single-ion volume data (or estimates thereof), or on experimental densities. A detailed example explains the observed trend in increasing stability of bisulfites as the size of the cation increases and shows how quantitative free energy information can be obtained. Errors are also discussed.
Keywords (Audience):
Upper-Division UndergraduateKeywords (Domain):
Inorganic ChemistryKeywords (Feature):
Research: Science and EducationKeywords (Subject):
Solid State ChemistryCiting Articles
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- Received: August 03, 2009
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