The hydration state of HO(aq)
نویسندگان
چکیده
The HO(aq) ion participates in myriad aqueous phase chemical processes of biological and chemical interest. A molecularly valid description of its hydration state, currently poorly understood, is a natural prerequisite to modeling chemical transformations involving HO(aq). Here it is shown that the statistical mechanical quasichemical theory of solutions predicts that HO · [H2O]3 − is the dominant inner shell coordination structure for HO(aq) under standard conditions. Experimental observations and other theoretical calculations are adduced to support this conclusion. Hydration free energies of neutral combinations of simple cations with HO(aq) are evaluated and agree well with experimental values.
منابع مشابه
Hydration and mobility of HO-(aq).
The hydroxide anion plays an essential role in many chemical and biochemical reactions. But a molecular-scale description of its hydration state, and hence also its transport, in water is currently controversial. The statistical mechanical quasichemical theory of solutions suggests that HO.[H2O]3(-) is the predominant species in the aqueous phase under standard conditions. This result agrees wi...
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