Reactions of titanium oxides with water molecules. A matrix isolation FTIRand density functional study

Reactions of titanium dioxides with water molecules have been studied by ma trix isolation infrared and density functional theoretical calculations. In solid argon, titanium dioxide molecules reacted with water to form OTi(OH) (2) molecules spontaneously on annealing. The potential energy surface alon g the TiO2 + H2O OTi(OH)(2) reaction path was calculated. Although titanium dioxide-water complex was predicted to be stable, this complex was not obs erved due to low energy barrier and high exothermicity for the hydrolysis r eaction. Evidence is also presented for the formation of OTi-OH2 complex. ( C) 2001 Published by Elsevier Science BN.