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

April 7, 1999

Journal Article

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

Abstract

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 metalligand binding has motivated efforts toward comprehensive integration of Mz+ xOHy stability constants.3-5

Revised: March 2, 2004 | Published: April 7, 1999

Citation

Rustad J.R., D.A. Dixon, K.M. Rosso, and A.R. Felmy. 1999. Trivalent Ion Hydrolysis Reactions: A Linear Free-Energy Relationship Based on Density Functional Electronic Structure Calculations. Journal of the American Chemical Society 121, no. 13:3234-3235. PNNL-SA-34253.