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

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