Trivalent Ion Hydrolysis Reactions: A Linear Free-Energy Relationship Based on Density Functional Electronic Structure Calculations

Journal Article · Wed Apr 07 00:00:00 EDT 1999 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/ja984217t· OSTI ID:15004991

Rustad, James R; Dixon, David A; Rosso, Kevin M; Felmy, Andrew R

Metal ion hydrolysis is fundamental in aqueous chemistry because of the influence of coordinating hydroxide ions on reaction rates; examples include enhanced labilization of coordinating water molecules in hydrolyzed complexes1 and stabilization of oxidized products in electron-transfer reactions involving hydrolyzed reductants.2 Moreover, the role of metal hydrolysis reactions in defining a baseline for establishing trends in metal ligand binding has motivated efforts toward comprehensive integration of Mz+ xOHy stability constants.3-5

• Research Organization: Pacific Northwest National Lab., Richland, WA (US), Environmental Molecular Sciences Laboratory (US)
• Sponsoring Organization: US Department of Energy (US)
• DOE Contract Number: AC06-76RL01830
• OSTI ID: 15004991
• Report Number(s): PNNL-SA-34253; JACSAT; 1835; KP1301030; TRN: US200412%%45
• Journal Information: Journal of the American Chemical Society, Vol. 121, Issue 13; Other Information: PBD: 7 Apr 1999; ISSN 0002-7863
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ELECTRON TRANSFER
ELECTRONIC STRUCTURE
FREE ENERGY
DENSITY FUNCTIONAL METHOD
HYDROLYSIS
HYDROXIDES
CHEMICAL REACTION KINETICS
STABILITY
STABILIZATION
METALS
ENVIRONMENTAL MOLECULAR SCIENCES LABORATORY
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