Publication details
Room temperature spontaneous conversion of OCS to CO2 on the anatase TiO2 surface
| Authors | |
|---|---|
| Year of publication | 2014 |
| Type | Article in Periodical |
| Magazine / Source | Chemical Communications |
| MU Faculty or unit | |
| Citation | |
| Web | http://pubs.rsc.org/en/Content/ArticleLanding/2014/CC/c4cc01992j#!divAbstract |
| Doi | http://dx.doi.org/10.1039/c4cc01992j |
| Field | Physical chemistry and theoretical chemistry |
| Keywords | TITANIUM-DIOXIDE; OXYGEN-EXCHANGE; CARBON-MONOXIDE; HYDROCARBONS; CHEMISTRY; TIO2(101); OXIDATION; ISOTOPE; METAL; FTIR |
| Description | High-resolution FT-IR spectroscopy combined with quantum chemical calculations was used to study the chemistry of OCS-disproportionation 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 fromthe gas-phase. Using quantumchemical calculations we propose a plausible mechanistic scenario, in which two reduced Ti3+ centres mediate the reaction of the adsorbed OCS molecules. |