Mechanistic aspects of the reaction of Th+ and Th2+ with water in the gas phase

Inorg Chem. 2008 Mar 17;47(6):2083-8. doi: 10.1021/ic701789n. Epub 2008 Feb 15.

Abstract

Density functional theory calculations were performed to study the gas-phase reaction of Th(+) and Th(2+) with water. An in-depth analysis of the reaction pathways leading to different reaction products is presented. The obtained results are compared to experimental data and to the previously studied reactions of U cations with water.