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THE ENTROPIES OF IONS IN AQUEOUS SOLUTION: II. AN EMPIRICAL EQUATION FOR OXY-ANIONS

1957; NRC Research Press; Volume: 35; Issue: 3 Linguagem: Inglês

10.1139/v57-030

1480-3291

A. M. Couture, Keith J. Laidler,

Computational Drug Discovery Methods

The entropies of oxy-anions in aqueous solution are shown to obey the empirical relationship[Formula: see text]with a mean deviation of 3.6 e.u. In this equation [Formula: see text] is the entropy relative to a value of −5.5 e.u. for the proton, M is the molecular weight, z the number of charges on the ion, n the number of charge-bearing ligands, r is equal to r 12 + 1.40, where r 12 is the interatomic distance between the central atom and the surrounding oxygens, and 1.40 is the van der Waals radius of oxygen. The significance of the empirical equation is discussed.