Journal
CHEMICAL COMMUNICATIONS
Volume 50, Issue 57, Pages 7712-7715Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c4cc01992j
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Funding
- Grant Agency of the Czech Republic [P108/12/0814]
- Ministry of Education, Youth and Sports of the Czech Republic [LD14115, LD13060, COST CM1104]
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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.
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