Molecular orbital and DFT studies on water exchange mechanisms of metal ions

An overview of recent molecular orbital theory and density functional theory studies on water exchange reactions of metal ions and complexes in solution is presented. The different theoretical techniques used are reviewed and representative examples are discussed. The mechanistic insight gained is discussed in reference to available experimental data and the predictive nature of the applied techniques is highlighted. (C) 2002 Elsevier Science B.V. All rights reserved.