Room temperature spontaneous conversion of OCS to CO2 on the anatase TiO2 surface.

High-resolution FT-IR spectroscopy combined with quantum chemical calculations was used to study the chemistry of OCSdisproportionation over the reduced surface of isotopically labelled, nanocrystalline TiO₂. Analysis of the isotopic composition of the product gases has revealed that the reaction involves solely OCS molecules from the gas-phase. Using quantum chemical calculations we propose a plausible mechanistic scenario, in which two reduced Ti³⁺ centres mediate the reaction of the adsorbed OCS molecules. [ABSTRACT FROM AUTHOR]