title: Room temperature spontaneous conversion of OCS to CO2 on the anatase TiO2 surface.
abstract: 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 from the gas-phase. Using quantum chemical calculations we propose a plausible mechanistic scenario, in which two reduced Ti(3+) centres mediate the reaction of the adsorbed OCS molecules.
authors.affiliation: J. Heyrovský Institute of Physical Chemistry, v. v. i., Academy of Sciences of the Czech Republic, Dolejškova 3, CZ-18223 Prague 8, Czech Republic. svatopluk.civis@jh-inst.cas.cz.
authors.forename: Svatopluk
authors.initials: S
authors.lastname: Civiš
authors.forename: Martin
authors.initials: M
authors.lastname: Ferus
authors.forename: Judit E
authors.initials: JE
authors.lastname: Šponer
authors.forename: Jirí
authors.initials: J
authors.lastname: Šponer
authors.forename: Ladislav
authors.initials: L
authors.lastname: Kavan
authors.forename: Markéta
authors.initials: M
authors.lastname: Zukalová
mesh_terms: D002245:Carbon Dioxide / Q000737:chemistry* / Q000378:metabolism; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods; D013461:Sulfur Oxides / Q000737:chemistry* / Q000378:metabolism; D013696:Temperature; D014025:Titanium / Q000737:chemistry*
chemical_list: D013461:Sulfur Oxides; D002245:Carbon Dioxide; C009495:titanium dioxide; C010063:carbonyl sulfide; D014025:Titanium