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Title: Predicting the Reactivity of Hydride Donors in Water: Thermodynamic Constants for Hydrogen

Chemical reactivity of hydride complexes can be predicted by comparing bond strengths for homolytic and heterolytic cleavage of bonds to hydrogen. To determine these bond strengths, thermodynamic constants for H+, H•, H–, and H2 are essential and need to be used uniformly to enable the prediction of reactivity and equilibria. One of the largest challenges is quantifying the stability of solvated H– in water, which is discussed. Due to discrepancies in the literature for the constants used in water, we propose the use of a set of self-consistent constants with convenient standard states. The work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences.
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Resource Type:
Journal Article
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Journal Name: Dalton Transactions, 44(13):5933-5938
Research Org:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
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Country of Publication:
United States